data_1br0_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 1br0 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -63.27 -41.6 99.04 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -75.0 -43.84 51.58 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.5 mmm -71.61 -34.87 70.23 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.649 -1.644 . . . . 0.0 113.098 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -58.05 -42.52 85.59 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 116.012 -1.947 . . . . 0.0 114.24 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -39.79 91.32 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 121.273 1.852 . . . . 0.0 114.564 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.94 -43.84 70.15 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 169.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -70.4 -39.82 74.26 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.34 -42.71 99.14 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.78 -27.39 66.71 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.59 -47.0 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.567 0 CA-C-O 116.36 -1.781 . . . . 0.0 111.192 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.98 -28.8 40.02 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.56 -45.16 19.75 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 116.928 -1.51 . . . . 0.0 112.127 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 21.1 mm -57.3 -37.55 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-O 114.809 -2.52 . . . . 0.0 112.537 174.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -56.65 -28.99 61.78 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-N 122.736 2.516 . . . . 0.0 114.101 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.35 -47.08 65.43 Favored Glycine 0 CA--C 1.558 2.765 0 CA-C-O 117.619 -1.656 . . . . 0.0 112.767 167.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.06 -35.56 71.52 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.59 -54.0 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.539 1.536 . . . . 0.0 109.756 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -38.94 72.97 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -63.01 -27.61 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -78.98 -59.91 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.054 0 CA-C-O 115.389 -2.243 . . . . 0.0 106.705 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.19 10.78 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 118.895 2.924 . . . . 0.0 118.895 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.2 -47.01 21.38 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 120.059 1.299 . . . . 0.0 113.018 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.57 -37.6 84.46 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.98 -47.42 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 CA-C-O 116.184 -1.865 . . . . 0.0 110.902 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -54.36 -31.36 54.41 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.77 -48.38 54.65 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -50.19 -41.67 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.213 0 C-N-CA 125.042 1.337 . . . . 0.0 111.857 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.7 -31.62 72.85 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 115.476 -2.202 . . . . 0.0 115.569 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -75.3 -35.24 61.3 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-N 121.791 2.087 . . . . 0.0 113.243 168.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -69.56 -45.89 67.69 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.092 1.757 . . . . 0.0 115.401 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -69.89 -14.36 62.7 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 118.931 2.937 . . . . 0.0 118.931 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.2 t -90.1 -23.31 21.42 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 -30.95 17.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.932 169.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.555 1.15 0 CA-C-O 114.178 -2.82 . . . . 0.0 114.029 -167.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt . . . . . 0 CA--C 1.575 1.913 0 CA-C-O 115.574 -2.155 . . . . 0.0 114.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.91 -40.62 4.7 Favored 'General case' 0 CA--C 1.587 2.383 0 CA-C-N 122.664 2.484 . . . . 0.0 114.973 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.33 -23.6 21.09 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 115.706 -2.092 . . . . 0.0 116.001 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.37 -38.76 92.41 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 122.806 2.548 . . . . 0.0 115.714 -172.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.69 -21.65 63.08 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.99 -59.69 2.68 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.787 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.68 -37.24 85.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 123.057 2.662 . . . . 0.0 117.609 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.9 mtt -72.98 -43.04 62.68 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.29 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -68.07 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 168.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.74 -45.81 73.91 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.49 -42.99 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.585 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -52.12 -42.42 63.28 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 121.863 2.119 . . . . 0.0 115.637 170.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.27 -50.2 49.07 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.342 1.428 . . . . 0.0 114.463 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -66.56 -49.33 66.78 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 115.721 -2.085 . . . . 0.0 112.477 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.17 -42.97 41.59 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -69.86 -37.19 76.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 169.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -59.79 -46.94 87.64 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.3 -52.77 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 C-N-CA 125.744 1.618 . . . . 0.0 113.381 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -51.97 -38.33 56.19 Favored 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.5 m -70.25 -24.33 63.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 169.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -79.9 -26.05 40.37 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 122.073 2.215 . . . . 0.0 112.392 169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.287 84.2 mt -70.98 -43.75 67.39 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.364 2.266 . . . . 0.0 113.481 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -60.66 -46.42 90.38 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 115.391 -2.243 . . . . 0.0 112.164 168.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.1 p -51.88 -27.95 14.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm -76.59 -48.7 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 CA-C-O 115.85 -2.024 . . . . 0.0 109.937 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -62.42 -41.55 98.78 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 121.364 1.893 . . . . 0.0 114.75 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -59.79 -42.43 93.35 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 126.605 1.962 . . . . 0.0 114.442 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.471 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.65 -40.49 87.86 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 169.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.55 -33.66 68.35 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.699 1.6 . . . . 0.0 115.276 169.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -90.64 -36.83 14.16 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.504 1.522 . . . . 0.0 109.56 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.26 -37.25 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.863 0 C-N-CA 126.591 1.956 . . . . 0.0 109.873 166.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -65.66 -45.63 82.19 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 125.415 1.486 . . . . 0.0 112.566 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -65.43 -30.0 70.75 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -61.53 -48.21 82.06 Favored 'General case' 0 CA--C 1.58 2.102 0 CA-C-N 120.026 1.285 . . . . 0.0 113.778 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -70.93 -37.71 72.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 116.613 -1.661 . . . . 0.0 114.482 170.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.4 -46.07 91.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.9 p -65.04 -28.18 69.31 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.7 m -77.86 -45.06 25.35 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.232 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.66 -46.42 88.26 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -72.49 -30.62 64.68 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.48 -41.85 79.54 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.45 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -70.19 -37.05 75.02 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 120.943 1.702 . . . . 0.0 113.416 169.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.01 -37.51 87.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 116.07 -1.919 . . . . 0.0 115.414 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.18 -43.06 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-N 121.06 1.755 . . . . 0.0 113.807 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 -32.9 35.49 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.54 -52.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 115.631 -2.128 . . . . 0.0 112.259 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.1 tpp -64.14 -43.7 94.44 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.122 2.237 . . . . 0.0 114.406 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.4 t -64.31 -27.49 69.06 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -42.09 63.89 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-O 117.218 -1.372 . . . . 0.0 112.367 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -35.65 78.46 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.75 -41.41 81.88 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.388 -1.291 . . . . 0.0 113.747 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.37 59.49 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 168.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.0 m -66.78 -46.02 76.63 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.856 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.66 -44.91 84.87 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 116.714 -1.612 . . . . 0.0 114.255 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.0 m -66.96 -39.32 87.22 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 115.754 -2.069 . . . . 0.0 115.204 169.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.81 -17.88 61.92 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.455 1.934 . . . . 0.0 116.112 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 CA--C 1.573 1.852 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 169.193 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.566 1.562 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.49 -43.91 92.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 121.451 1.932 . . . . 0.0 115.438 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -78.28 -42.86 29.69 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.1 mmt -69.88 -36.61 75.6 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 116.279 -1.82 . . . . 0.0 114.377 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -63.19 -42.27 99.32 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 115.7 -2.095 . . . . 0.0 115.006 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.51 -43.53 85.02 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-N 122.047 2.203 . . . . 0.0 114.569 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.34 -42.68 99.08 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.925 -1.988 . . . . 0.0 116.149 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -71.52 -34.18 69.86 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 121.403 1.911 . . . . 0.0 115.623 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.309 1.3 pt-20 -68.76 -44.89 72.78 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 174.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.29 -39.76 92.96 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -53.04 -45.96 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.884 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.1 -30.51 62.17 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 170.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.83 -41.74 67.82 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.426 1.09 . . . . 0.0 112.044 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.67 -49.11 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 CA-C-O 116.533 -1.699 . . . . 0.0 111.11 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.22 -29.79 70.04 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.57 50.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 116.188 1.235 . . . . 0.0 116.188 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -61.07 -40.91 95.48 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 169.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.4 -38.69 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.8 0 CA-C-O 116.567 -1.683 . . . . 0.0 110.594 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.51 -43.66 98.26 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 116.462 -1.733 . . . . 0.0 114.83 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.19 -37.28 86.63 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 121.157 1.799 . . . . 0.0 113.8 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.19 -60.84 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.232 0 CA-C-O 115.158 -2.353 . . . . 0.0 106.186 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.52 -22.3 43.45 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.34 -46.59 26.88 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 116.908 -1.52 . . . . 0.0 111.78 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -67.79 -47.1 70.07 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 120.842 1.656 . . . . 0.0 113.544 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.63 -46.22 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 0 C-N-CA 127.131 2.172 . . . . 0.0 111.243 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.11 -36.23 74.8 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.857 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.53 -40.81 80.6 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 120.389 1.449 . . . . 0.0 114.054 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 t -51.56 -42.74 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 CA-C-N 120.642 1.564 . . . . 0.0 110.859 169.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -59.56 -36.38 76.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.12 -34.75 68.81 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 119.605 1.093 . . . . 0.0 113.491 169.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.66 -46.48 53.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -36.81 78.57 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -74.62 -45.35 45.55 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.336 -1.792 . . . . 0.0 115.203 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.75 68.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.978 2.214 . . . . 0.0 116.978 169.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CG2' ' HH ' ' A' ' 141' ' ' TYR . 47.2 mt . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.205 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt . . . . . 0 N--CA 1.503 2.224 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -40.2 -38.57 0.79 Allowed 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 127.063 2.145 . . . . 0.0 116.543 168.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.94 -27.34 30.64 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 115.612 -2.137 . . . . 0.0 115.14 169.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.66 -33.72 70.42 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 122.495 2.407 . . . . 0.0 116.562 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.31 -28.35 67.09 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.561 168.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.88 -53.86 13.57 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.83 -2.034 . . . . 0.0 112.251 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.64 -29.94 70.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.3 mtt -75.09 -47.27 29.56 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.894 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.22 -19.72 64.78 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.84 -48.2 22.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.26 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.3 -39.06 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.449 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.71 -47.57 76.62 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-O 116.239 -1.839 . . . . 0.0 114.583 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 120.947 1.703 . . . . 0.0 114.792 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.3 m -73.57 -61.99 1.64 Allowed 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 114.943 -2.456 . . . . 0.0 109.568 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.21 -31.65 8.96 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 123.782 2.992 . . . . 0.0 117.656 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.17 -47.75 48.47 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 117.522 -1.228 . . . . 0.0 112.459 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -54.72 -31.95 58.97 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.79 -54.87 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 127.283 2.233 . . . . 0.0 108.083 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.67 -41.71 67.16 Favored 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 m -60.79 -30.12 69.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -75.87 -37.01 59.34 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.605 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.22 -42.66 99.3 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -58.66 -37.22 75.51 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 170.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.8 m -64.0 -25.38 68.1 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.1 mp -76.49 -51.59 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 CA-C-O 116.205 -1.855 . . . . 0.0 108.59 169.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.47 -42.8 95.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 169.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 174.054 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -36.46 82.03 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.77 -30.44 71.45 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 125.772 1.629 . . . . 0.0 114.873 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -90.95 -33.39 15.6 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.496 1.518 . . . . 0.0 111.825 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 mt -53.0 -47.17 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.511 0 C-N-CA 126.719 2.007 . . . . 0.0 111.092 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -56.41 -44.08 79.98 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 124.897 1.279 . . . . 0.0 114.193 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -62.67 -37.6 87.07 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.788 1.635 . . . . 0.0 115.106 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.6 m -63.55 -45.46 90.4 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.236 1.414 . . . . 0.0 113.934 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.68 -38.45 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.917 -1.992 . . . . 0.0 114.745 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -63.54 -35.91 82.03 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.448 1.931 . . . . 0.0 115.861 172.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -66.95 -39.87 87.38 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -68.81 -44.72 72.94 Favored 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 120.121 1.328 . . . . 0.0 112.908 169.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 -43.51 83.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.548 1.539 . . . . 0.0 114.055 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -69.49 -28.69 66.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -67.21 -37.93 84.46 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -39.27 55.3 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.789 1.632 . . . . 0.0 113.393 169.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -60.55 -35.96 77.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 116.032 -1.937 . . . . 0.0 114.874 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.43 -44.82 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-N 121.139 1.79 . . . . 0.0 114.229 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.27 -31.03 30.74 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -98.68 -50.06 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.086 0 CA-C-O 115.828 -2.034 . . . . 0.0 112.855 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.9 -45.61 88.58 Favored 'General case' 0 N--CA 1.505 2.292 0 CA-C-N 121.886 2.13 . . . . 0.0 113.825 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.4 t -64.9 -28.92 69.87 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.27 -44.68 67.94 Favored 'General case' 0 CA--C 1.577 1.996 0 C-N-CA 125.171 1.389 . . . . 0.0 112.184 168.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -60.12 -36.25 77.05 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.31 -43.21 92.66 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-O 117.211 -1.376 . . . . 0.0 114.22 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.31 60.9 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 169.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.7 m -67.73 -46.68 71.45 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.724 -1.608 . . . . 0.0 113.57 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -66.02 -46.3 78.41 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.336 -1.792 . . . . 0.0 113.849 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 50.5 m -63.38 -31.2 72.29 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.31 -27.59 67.28 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.363 -1.779 . . . . 0.0 115.297 169.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.533 ' HH ' ' CG2' ' A' ' 61' ' ' ILE . 16.5 t80 . . . . . 0 CA--C 1.574 1.876 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 170.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.55 -37.94 80.37 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -79.39 -45.79 18.85 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.908 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -70.43 -37.17 74.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.185 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.08 -40.41 89.45 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 120.553 1.524 . . . . 0.0 113.618 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -36.88 85.08 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.184 1.356 . . . . 0.0 114.346 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -60.06 -49.21 78.53 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-O 116.466 -1.73 . . . . 0.0 114.93 169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.76 -34.34 76.63 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.71 -44.95 84.54 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 126.517 1.927 . . . . 0.0 116.073 169.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -70.25 -20.22 63.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.05 -48.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-O 116.392 -1.766 . . . . 0.0 111.614 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.76 -27.8 60.09 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.86 2.541 . . . . 0.0 117.86 173.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.73 -35.99 57.45 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 117.205 -1.379 . . . . 0.0 112.981 168.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.294 19.3 mt -60.43 -64.02 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.515 2.797 0 C-N-CA 125.223 1.409 . . . . 0.0 108.48 169.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.05 -33.64 8.34 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 171.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.11 -50.19 70.32 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-O 118.307 -1.274 . . . . 0.0 114.96 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.8 -43.21 97.0 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 116.599 -1.667 . . . . 0.0 113.513 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.3 mt -58.51 -47.47 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.754 0 C-N-CA 125.768 1.627 . . . . 0.0 110.623 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -54.71 -44.41 73.43 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -67.22 -22.4 65.71 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 116.196 -1.859 . . . . 0.0 115.987 169.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.21 -66.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 CA-C-O 115.16 -2.352 . . . . 0.0 105.879 168.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -22.13 60.65 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.71 -46.37 25.76 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 116.631 -1.652 . . . . 0.0 111.567 169.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.19 -42.54 72.27 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.301 1.864 . . . . 0.0 113.385 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.0 -46.24 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 C-N-CA 126.515 1.926 . . . . 0.0 111.096 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.88 -34.51 69.85 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-N 120.834 1.652 . . . . 0.0 114.031 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.55 -43.61 84.61 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.67 -48.97 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.832 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.439 171.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.22 -27.89 69.3 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -76.36 -35.23 58.79 Favored 'General case' 0 N--CA 1.508 2.475 0 CA-C-N 120.555 1.525 . . . . 0.0 113.325 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -76.01 -43.3 44.85 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -73.66 -47.71 37.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.56 -1.686 . . . . 0.0 115.061 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.69 -22.03 65.29 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt . . . . . 0 N--CA 1.499 2.008 0 CA-C-O 116.439 -1.743 . . . . 0.0 108.173 174.328 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 117.247 -1.358 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -44.44 -36.87 3.1 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 115.794 1.776 . . . . 0.0 115.794 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.64 -28.89 51.47 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 115.1 -2.381 . . . . 0.0 115.289 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.93 -41.79 96.9 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 122.97 2.623 . . . . 0.0 116.141 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.14 -30.17 71.38 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.68 -52.78 13.84 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.786 -2.055 . . . . 0.0 112.922 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.26 -34.63 78.8 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 mmt -71.45 -44.39 64.91 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 116.982 -1.485 . . . . 0.0 113.645 170.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -65.82 -28.16 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 169.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.17 -45.92 72.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.4 mt -68.91 -39.59 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-O 115.857 -2.02 . . . . 0.0 110.16 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.31 -49.5 75.9 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 121.619 2.009 . . . . 0.0 114.075 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.12 -43.58 70.71 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.6 1.546 . . . . 0.0 114.189 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 m -68.39 -50.24 54.39 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-O 115.719 -2.086 . . . . 0.0 112.654 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.89 69.26 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -69.8 -37.67 76.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 170.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 120.807 1.639 . . . . 0.0 114.773 169.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.36 -52.97 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.113 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -53.9 -44.49 70.54 Favored 'General case' 0 N--CA 1.515 2.776 0 CA-C-N 120.849 1.659 . . . . 0.0 114.139 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -59.4 -30.1 68.2 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -71.41 -38.93 71.39 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.008 169.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.37 -47.22 76.13 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 169.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 115.714 -2.089 . . . . 0.0 115.194 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 t -59.1 -20.7 55.82 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 169.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.09 -48.94 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.26 0 CA-C-O 116.061 -1.923 . . . . 0.0 108.005 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.4 -42.98 97.07 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 121.485 1.948 . . . . 0.0 115.494 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.62 -40.28 96.49 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 173.256 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -40.05 77.28 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 119.953 1.252 . . . . 0.0 113.015 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.425 ' HA ' HH21 ' A' ' 116' ' ' ARG . 18.1 tp -63.1 -33.03 74.57 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 125.615 1.566 . . . . 0.0 114.416 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -91.65 -43.66 9.48 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.705 1.602 . . . . 0.0 112.579 -168.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.6 mt -44.53 -47.06 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.776 0 C-N-CA 126.292 1.837 . . . . 0.0 112.237 167.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' A' ' 113' ' ' LEU . 33.9 mtm180 -67.24 -45.37 76.93 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.184 1.794 . . . . 0.0 112.218 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.42 -24.43 64.74 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 116.476 -1.726 . . . . 0.0 114.591 168.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.6 m -65.82 -52.9 46.8 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 120.885 1.675 . . . . 0.0 112.963 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.71 -38.52 67.47 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 116.661 -1.638 . . . . 0.0 114.922 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.91 -45.15 93.46 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 172.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.5 m -69.28 -34.33 74.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -72.68 -47.12 49.94 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-N 120.176 1.353 . . . . 0.0 112.124 169.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.77 -44.65 82.03 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.86 1.664 . . . . 0.0 114.241 169.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.9 m -64.71 -33.6 76.33 Favored 'General case' 0 CA--C 1.565 1.549 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.781 -1.581 . . . . 0.0 114.459 170.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -68.42 -33.74 74.76 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.922 1.237 . . . . 0.0 113.776 169.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.41 -41.45 89.5 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.1 t -73.11 -47.4 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.403 0 C-N-CA 125.509 1.523 . . . . 0.0 109.581 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.03 -11.52 0.09 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 116.89 2.182 . . . . 0.0 116.89 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.66 -53.93 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 CA-C-O 116.123 -1.894 . . . . 0.0 111.88 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.8 mmt -59.47 -41.13 89.06 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 121.643 2.019 . . . . 0.0 115.463 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.5 p -69.46 -29.83 67.59 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.62 -40.66 69.64 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.009 1.277 . . . . 0.0 111.403 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.96 -35.22 77.82 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.77 -44.09 73.35 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.672 1.589 . . . . 0.0 115.063 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.15 49.2 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 169.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.7 m -65.76 -45.57 82.05 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.871 1.669 . . . . 0.0 113.95 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -66.63 -47.8 71.47 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.195 -1.859 . . . . 0.0 113.932 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.2 t -68.1 -35.9 78.91 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.53 -12.58 61.66 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.23 -1.843 . . . . 0.0 115.072 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.3 t80 . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 121.203 1.819 . . . . 0.0 110.841 168.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -35.08 76.02 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.25 -43.91 22.81 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.2 mmm -68.33 -37.44 80.55 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 116.66 -1.638 . . . . 0.0 113.229 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -59.31 -43.49 92.64 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 116.487 -1.72 . . . . 0.0 113.901 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -37.26 82.59 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.91 1.686 . . . . 0.0 113.632 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -62.44 -41.83 99.01 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 116.182 -1.866 . . . . 0.0 115.676 169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -67.22 -39.42 86.27 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.19 -41.76 76.72 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.4 -26.94 67.48 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.63 -47.86 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 CA-C-O 116.581 -1.676 . . . . 0.0 111.307 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.55 -26.87 34.68 Favored 'General case' 0 CA--C 1.58 2.131 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -71.42 -53.46 13.95 Favored 'General case' 0 CA--C 1.586 2.339 0 C-N-CA 124.85 1.26 . . . . 0.0 111.296 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.255 17.1 mm -44.25 -47.76 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.569 0 C-N-CA 127.411 2.284 . . . . 0.0 112.772 169.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -55.68 -36.62 67.33 Favored 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -51.83 55.86 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 170.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -58.32 -37.74 75.72 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 169.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.6 -50.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 125.581 1.552 . . . . 0.0 110.321 176.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.83 -41.67 74.62 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -30.88 70.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.24 -62.85 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 CA-C-O 115.512 -2.185 . . . . 0.0 107.655 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.14 19.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 118.642 2.83 . . . . 0.0 118.642 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.03 -45.27 50.71 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 116.689 -1.624 . . . . 0.0 112.399 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.84 -42.92 69.55 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 115.979 -1.962 . . . . 0.0 113.981 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.41 -47.83 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-N 121.007 1.73 . . . . 0.0 110.448 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.96 -34.34 65.61 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-N 120.535 1.516 . . . . 0.0 114.218 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.13 -38.5 82.25 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.63 -51.24 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 0 CA-C-O 116.188 -1.863 . . . . 0.0 110.718 171.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -65.75 -18.63 65.46 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -80.98 -31.92 34.57 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 120.548 1.522 . . . . 0.0 111.486 167.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -73.37 -71.17 0.33 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.982 1.313 . . . . 0.0 112.157 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -43.4 -33.93 1.16 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 119.172 3.027 . . . . 0.0 119.172 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 m -88.59 -28.79 20.47 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.386 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 -13.88 60.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 121.94 2.155 . . . . 0.0 116.185 169.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -175.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.81 -42.83 99.51 Favored 'General case' 0 CA--C 1.578 2.031 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 168.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.76 -21.95 56.95 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 115.997 -1.954 . . . . 0.0 116.187 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.77 -34.07 77.02 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 122.352 2.342 . . . . 0.0 114.937 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -21.66 66.58 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 119.842 1.201 . . . . 0.0 114.081 168.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.08 -54.87 6.2 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-O 114.773 -2.537 . . . . 0.0 111.628 169.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -29.48 70.31 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 123.144 2.702 . . . . 0.0 117.74 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.7 mmt -69.86 -49.04 56.22 Favored 'General case' 0 N--CA 1.505 2.296 0 CA-C-O 116.978 -1.487 . . . . 0.0 112.772 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.44 -26.04 67.78 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -69.77 -42.08 74.29 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 116.122 -1.894 . . . . 0.0 115.12 171.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.5 mt -77.24 -38.11 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 CA-C-N 121.279 1.854 . . . . 0.0 109.887 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -59.66 -42.67 93.36 Favored 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 121.011 1.732 . . . . 0.0 114.74 169.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -68.19 -51.6 43.79 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.694 1.588 . . . . 0.0 113.651 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -65.14 -57.99 7.17 Favored 'General case' 0 CA--C 1.573 1.848 0 CA-C-O 115.054 -2.403 . . . . 0.0 110.862 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.63 -33.19 45.57 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 114.851 -2.499 . . . . 0.0 116.078 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -68.4 -37.1 80.03 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 122.273 2.306 . . . . 0.0 114.661 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -60.48 -34.15 73.63 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.473 1.488 . . . . 0.0 114.505 168.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.15 -60.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.681 1.592 . . . . 0.0 109.34 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -53.27 -50.44 64.83 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 126.682 1.993 . . . . 0.0 113.602 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -60.41 -23.8 64.65 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 168.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -73.9 -39.96 63.5 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 117.247 -1.359 . . . . 0.0 114.375 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HA ' ' HE2' ' A' ' 120' ' ' HIS . 65.2 mt -59.0 -45.05 91.59 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 127.269 2.228 . . . . 0.0 115.33 170.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -63.54 -28.32 69.86 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 115.441 -2.219 . . . . 0.0 116.128 169.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.9 m -69.38 -28.08 65.88 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 121.643 2.02 . . . . 0.0 115.7 168.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.2 mm -77.49 -46.77 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.542 169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -64.02 -39.52 94.28 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 120.389 1.45 . . . . 0.0 114.805 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.56 -41.28 97.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.086 -1.435 . . . . 0.0 114.583 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 178.199 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -49.81 -44.02 48.95 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.99 -36.16 62.62 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 126.617 1.967 . . . . 0.0 114.541 168.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.0 -38.17 13.0 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.604 1.962 . . . . 0.0 110.584 -169.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.14 -48.98 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.564 0 C-N-CA 128.519 2.728 . . . . 0.0 110.635 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.03 -45.59 75.2 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 125.429 1.492 . . . . 0.0 114.359 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -62.11 -35.31 78.33 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.7 m -62.14 -49.56 75.38 Favored 'General case' 0 CA--C 1.58 2.126 0 C-N-CA 125.341 1.456 . . . . 0.0 113.666 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -78.85 -35.3 44.11 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 115.948 -1.977 . . . . 0.0 116.25 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 93' ' ' LEU . 30.9 t-80 -62.48 -45.88 91.01 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 121.647 2.022 . . . . 0.0 115.576 170.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -64.15 -39.63 94.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m -70.03 -43.39 71.39 Favored 'General case' 0 CA--C 1.58 2.113 0 CA-C-O 117.309 -1.329 . . . . 0.0 112.67 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.9 mt -57.08 -42.96 81.66 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 116.895 -1.526 . . . . 0.0 114.103 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p -63.11 -27.53 69.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 168.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -69.37 -42.08 75.67 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 116.592 -1.671 . . . . 0.0 114.813 169.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -72.07 -34.2 68.53 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 121.422 1.919 . . . . 0.0 113.387 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.04 -43.02 99.84 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 169.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.71 -43.14 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.381 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.68 -33.43 64.12 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -88.59 -53.06 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 CA-C-O 115.191 -2.338 . . . . 0.0 109.155 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.34 -43.48 77.4 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.896 2.589 . . . . 0.0 113.562 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.5 m -60.98 -27.51 68.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.795 1.634 . . . . 0.0 114.698 168.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.57 -41.72 62.56 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 125.503 1.521 . . . . 0.0 111.687 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.02 -34.56 76.44 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.74 -43.4 90.24 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 117.159 -1.401 . . . . 0.0 114.216 169.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.9 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.5 m -67.0 -49.51 65.13 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-N 120.653 1.569 . . . . 0.0 113.431 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.62 -47.04 73.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 116.138 -1.887 . . . . 0.0 113.835 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 54.7 m -66.66 -37.13 84.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 171.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.04 -16.56 63.17 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 115.944 -1.979 . . . . 0.0 114.818 168.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.497 1.881 0 CA-C-N 121.394 1.906 . . . . 0.0 114.981 169.732 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 102.639 -3.097 . . . . 0.0 102.639 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.09 -27.86 67.69 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -66.38 -45.51 79.83 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.92 -34.94 78.88 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 117.002 -1.475 . . . . 0.0 114.016 169.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.67 -42.91 84.51 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.939 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.25 -41.76 97.45 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.67 168.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.03 -40.78 86.07 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 116.384 -1.77 . . . . 0.0 115.398 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -65.66 -44.2 87.05 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.34 -40.97 81.4 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.22 -19.07 65.72 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.73 -47.28 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 CA-C-O 116.049 -1.929 . . . . 0.0 111.823 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.87 -27.64 44.13 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.35 -49.11 52.72 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.668 1.187 . . . . 0.0 112.595 169.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.261 28.0 mt -53.84 -54.96 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.9 0 C-N-CA 126.222 1.809 . . . . 0.0 110.79 169.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -53.92 -31.4 50.05 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.77 41.89 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-O 118.313 -1.27 . . . . 0.0 114.495 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -59.76 -29.86 68.47 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 116.76 -1.591 . . . . 0.0 115.234 168.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -69.42 -53.49 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 CA-C-O 116.392 -1.766 . . . . 0.0 109.459 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -48.97 -40.81 31.91 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 169.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -64.74 -15.56 61.71 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mm -77.87 -67.78 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.219 0 CA-C-O 115.245 -2.312 . . . . 0.0 105.761 169.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.48 10.49 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.34 -46.86 38.05 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.847 -1.549 . . . . 0.0 111.923 169.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -69.9 -42.72 73.02 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 116.067 -1.921 . . . . 0.0 113.654 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 t -60.47 -46.71 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 120.872 1.669 . . . . 0.0 110.864 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.34 -34.75 66.88 Favored 'General case' 0 N--CA 1.508 2.436 0 CA-C-N 120.517 1.508 . . . . 0.0 113.895 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 25.7 tt0 -68.99 -39.18 79.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-O 117.039 -1.457 . . . . 0.0 113.431 168.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.8 t -47.63 -44.84 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.275 0 CA-C-N 120.573 1.533 . . . . 0.0 112.285 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -67.13 -35.23 79.28 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 116.168 -1.872 . . . . 0.0 115.289 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 26.9 ptt180 -74.51 -22.71 58.91 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 120.95 1.704 . . . . 0.0 113.436 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -75.41 -59.2 2.85 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 125.957 1.703 . . . . 0.0 114.219 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.22 -38.97 92.95 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -169.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 m -77.65 -38.91 46.77 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 116.041 -1.933 . . . . 0.0 115.593 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.85 67.87 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.504 2.274 0 CA-C-O 115.177 -2.344 . . . . 0.0 108.121 169.712 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt . . . . . 0 N--CA 1.501 2.117 0 CA-C-O 117.476 -1.25 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.08 -35.74 48.6 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 168.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.35 -18.36 49.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 115.249 -2.31 . . . . 0.0 115.395 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.667 2.94 . . . . 0.0 114.814 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.96 -22.55 67.02 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 116.919 -1.515 . . . . 0.0 113.241 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.78 -50.92 21.31 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 114.514 -2.66 . . . . 0.0 112.531 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.38 -41.99 94.92 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 123.278 2.763 . . . . 0.0 115.978 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.79 -42.81 73.27 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.153 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.8 p -64.43 -32.12 73.61 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 168.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.33 -46.72 85.31 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.623 1.569 . . . . 0.0 115.164 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.9 mt -74.39 -33.83 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 CA-C-O 116.239 -1.839 . . . . 0.0 110.29 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -60.44 -45.11 94.86 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 121.126 1.784 . . . . 0.0 113.977 169.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -72.58 -45.0 61.29 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 116.378 -1.772 . . . . 0.0 114.16 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 m -70.91 -48.71 52.16 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 115.273 -2.299 . . . . 0.0 112.683 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.21 89.37 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 114.617 -2.611 . . . . 0.0 114.136 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.8 -31.69 72.8 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 122.682 2.492 . . . . 0.0 115.872 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.51 -42.45 87.73 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.27 -53.76 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 C-N-CA 125.759 1.624 . . . . 0.0 114.401 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -55.04 -49.67 70.99 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.784 1.633 . . . . 0.0 113.849 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -60.12 -21.45 61.59 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -89.58 -39.44 13.27 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.321 1.3 tt -64.76 -38.75 92.04 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.337 1.855 . . . . 0.0 113.521 171.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -57.98 -41.83 83.79 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.485 1.948 . . . . 0.0 114.124 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -53.04 -26.76 16.82 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 168.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -72.13 -48.07 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.341 0 CA-C-O 116.299 -1.81 . . . . 0.0 109.108 169.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -46.5 87.98 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.2 -39.51 82.85 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 169.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -54.6 -40.46 68.89 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.0 -25.62 67.16 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -90.29 -34.15 15.85 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.75 1.62 . . . . 0.0 109.981 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.1 mt -60.85 -47.23 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.79 0 C-N-CA 127.711 2.405 . . . . 0.0 109.302 167.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -54.98 -41.25 70.96 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.104 1.762 . . . . 0.0 115.151 170.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 168.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -59.84 -44.74 93.92 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 125.478 1.511 . . . . 0.0 113.868 172.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -79.96 -40.22 28.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 115.658 -2.115 . . . . 0.0 114.437 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -63.04 -45.81 90.51 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 122.22 2.282 . . . . 0.0 115.263 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 t -70.09 -32.79 71.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 m -76.87 -44.71 30.96 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.992 -1.48 . . . . 0.0 111.912 169.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -59.94 -45.29 93.1 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.669 169.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -61.36 -26.74 68.03 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 169.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -68.88 -41.62 78.06 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -75.94 -34.54 59.86 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.515 1.507 . . . . 0.0 112.754 168.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.03 -34.91 77.1 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.61 -44.76 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.827 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.23 -30.28 62.14 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 173.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.46 -58.16 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 114.587 -2.625 . . . . 0.0 107.768 173.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.6 mmm -66.2 -41.79 89.71 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 123.548 2.886 . . . . 0.0 114.209 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.4 t -61.93 -25.49 67.61 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 120.967 1.712 . . . . 0.0 115.492 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.61 -47.3 19.7 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 116.793 -1.575 . . . . 0.0 112.213 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.44 -27.29 64.21 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 170.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -64.63 -45.73 85.59 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 117.346 -1.311 . . . . 0.0 114.45 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.85 62.75 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 116.898 -1.525 . . . . 0.0 114.461 168.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.1 m -68.16 -35.86 78.73 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 116.065 -1.922 . . . . 0.0 115.454 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -71.87 -43.81 64.81 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 116.211 -1.852 . . . . 0.0 114.396 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.4 t -74.27 -41.37 61.35 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 121.245 1.839 . . . . 0.0 113.772 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.77 2.82 4.81 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.698 -1.62 . . . . 0.0 113.536 168.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.375 1.708 0 CA-C-N 121.429 1.922 . . . . 0.0 108.264 165.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.562 1.426 0 CA-C-O 117.365 -1.302 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.21 -36.52 80.12 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.53 -48.18 15.78 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 116.368 -1.777 . . . . 0.0 113.124 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.08 -15.75 61.49 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.516 1.962 . . . . 0.0 114.276 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -68.24 -40.93 81.86 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.138 1.79 . . . . 0.0 110.426 167.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.36 -35.85 76.67 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.217 167.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -58.85 -48.24 82.06 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.13 -1.89 . . . . 0.0 113.901 168.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -60.89 -32.77 72.22 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.25 9.5 mt-10 -64.11 -47.78 78.65 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 126.358 1.863 . . . . 0.0 115.428 169.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.85 -14.57 62.0 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.95 -48.45 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 116.54 -1.695 . . . . 0.0 110.296 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.46 -28.72 31.92 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 169.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.06 -47.82 64.36 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.171 -1.395 . . . . 0.0 112.618 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.264 22.2 mt -55.12 -61.86 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 CA-C-N 120.142 1.337 . . . . 0.0 109.314 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -48.77 -34.34 12.08 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.7 -48.4 84.48 Favored Glycine 0 CA--C 1.557 2.658 0 CA-C-O 118.786 -1.008 . . . . 0.0 114.471 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -63.58 -36.57 84.25 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-O 116.797 -1.573 . . . . 0.0 114.894 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.84 -46.4 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.705 0 CA-C-N 120.779 1.627 . . . . 0.0 110.915 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.13 -43.17 99.43 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -67.64 -17.29 64.55 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -80.21 -65.55 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 CA-C-O 115.378 -2.249 . . . . 0.0 105.813 169.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -26.68 15.36 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.13 -44.05 55.19 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.938 -1.506 . . . . 0.0 112.605 169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.82 -43.95 74.49 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.472 1.487 . . . . 0.0 114.05 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.31 -46.49 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 C-N-CA 126.088 1.755 . . . . 0.0 110.99 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.8 -36.26 80.58 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 116.525 -1.703 . . . . 0.0 115.099 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.27 -36.78 85.17 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 120.636 1.562 . . . . 0.0 114.939 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.76 -53.95 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.013 0 C-N-CA 125.391 1.476 . . . . 0.0 110.888 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.5 -15.75 40.84 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -49.87 18.66 Favored 'General case' 0 CA--C 1.589 2.447 0 C-N-CA 124.352 1.061 . . . . 0.0 109.433 167.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -81.85 -44.25 17.14 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.432 1.493 . . . . 0.0 114.124 -172.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -50.5 -26.62 5.36 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 119.033 2.975 . . . . 0.0 119.033 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -90.05 -12.72 37.67 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 170.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.55 -31.41 22.7 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 117.001 -1.476 . . . . 0.0 109.826 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.554 1.1 0 CA-C-O 114.366 -2.731 . . . . 0.0 114.772 -168.096 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 106.768 -1.568 . . . . 0.0 106.768 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.19 -34.32 66.12 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.19 -32.09 16.76 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 115.633 -2.127 . . . . 0.0 115.324 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.65 -34.97 79.04 Favored 'General case' 0 N--CA 1.507 2.393 0 CA-C-N 122.747 2.521 . . . . 0.0 115.086 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.07 -18.54 63.48 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 121.675 2.034 . . . . 0.0 115.339 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.45 -50.15 11.23 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 114.96 -2.448 . . . . 0.0 110.772 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.96 -37.25 29.7 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 122.886 2.585 . . . . 0.0 117.474 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.1 mtt -70.16 -45.84 65.91 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.683 2.038 . . . . 0.0 113.291 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -64.7 -20.49 66.35 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.17 -47.24 52.35 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 124.907 1.283 . . . . 0.0 113.869 169.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -65.78 -41.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.318 0 CA-C-O 116.415 -1.755 . . . . 0.0 110.465 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.54 -45.75 84.71 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 120.826 1.648 . . . . 0.0 114.394 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -65.53 -47.26 76.54 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 120.401 1.455 . . . . 0.0 114.729 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 m -70.24 -63.19 1.13 Allowed 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 115.455 -2.212 . . . . 0.0 110.07 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.36 -33.02 12.58 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.41 -43.35 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 116.332 -1.794 . . . . 0.0 113.861 169.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.74 -35.27 75.96 Favored 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 120.983 1.719 . . . . 0.0 114.939 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.09 -54.86 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 C-N-CA 125.838 1.655 . . . . 0.0 109.348 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -55.78 -43.33 76.69 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-N 120.426 1.466 . . . . 0.0 114.596 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 -30.48 71.38 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -70.23 -33.18 71.34 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.36 -46.47 73.27 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 117.169 -1.396 . . . . 0.0 114.001 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.07 -27.44 68.35 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 115.389 -2.243 . . . . 0.0 116.44 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.3 p -68.75 -31.38 70.39 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.944 2.156 . . . . 0.0 116.569 168.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.8 mm -74.36 -47.9 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 116.688 -1.625 . . . . 0.0 110.18 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.72 -44.06 97.1 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -63.12 -39.57 95.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.758 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.08 0 N-CA-C 118.82 2.896 . . . . 0.0 118.82 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.03 -36.74 84.08 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.624 1.712 . . . . 0.0 115.624 171.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.53 -20.33 65.41 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.56 -32.76 36.55 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 126.901 2.08 . . . . 0.0 109.644 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.257 15.9 mt -65.57 -50.21 73.22 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.927 0 C-N-CA 128.063 2.545 . . . . 0.0 107.552 166.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -52.89 -44.34 66.84 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 126.26 1.824 . . . . 0.0 114.564 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -61.41 -36.08 79.3 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 125.704 1.602 . . . . 0.0 114.886 168.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -63.38 -48.88 76.06 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 125.301 1.44 . . . . 0.0 113.54 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.82 75.34 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 169.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.31 -36.75 85.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.019 -1.943 . . . . 0.0 115.057 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -70.15 -32.48 70.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.9 m -72.04 -48.66 42.83 Favored 'General case' 0 CA--C 1.582 2.204 0 CA-C-O 117.254 -1.355 . . . . 0.0 112.014 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -69.27 -41.26 77.11 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.362 -1.78 . . . . 0.0 115.435 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -56.71 -42.16 78.66 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.113 1.779 . . . . 0.0 114.872 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.75 -33.33 73.72 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 117.53 -1.224 . . . . 0.0 113.423 168.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.84 -44.24 97.23 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 169.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.52 -46.8 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 C-N-CA 125.635 1.574 . . . . 0.0 110.016 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.39 -13.43 0.57 Allowed 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -108.0 -57.06 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 116.509 -1.71 . . . . 0.0 107.403 169.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.4 tpt -58.73 -39.4 80.75 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 121.263 1.847 . . . . 0.0 115.51 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.9 p -68.28 -33.07 73.68 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 169.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -71.49 -40.74 70.0 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 116.843 -1.551 . . . . 0.0 112.917 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -64.77 -32.9 74.79 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.819 169.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -57.86 -43.45 85.94 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 120.41 1.459 . . . . 0.0 114.375 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.5 -25.73 60.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 169.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.2 m -58.7 -44.37 90.29 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 120.305 1.412 . . . . 0.0 114.404 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -69.5 -47.31 64.24 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.7 t -66.44 -48.54 69.63 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 115.418 -2.229 . . . . 0.0 114.499 170.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.49 -29.69 37.41 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.5 t80 . . . . . 0 CA--C 1.58 2.103 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 168.794 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 116.663 -1.637 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.78 -47.2 75.96 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.378 1.899 . . . . 0.0 114.788 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -80.95 -37.54 29.28 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.402 -1.761 . . . . 0.0 114.763 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.4 mtp -69.18 -38.71 78.81 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 116.096 -1.907 . . . . 0.0 113.579 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.11 -42.27 94.36 Favored 'General case' 0 N--CA 1.505 2.285 0 CA-C-N 121.63 2.014 . . . . 0.0 114.223 169.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.21 -30.67 71.59 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.506 1.503 . . . . 0.0 114.464 168.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.63 -46.73 88.53 Favored 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 116.473 -1.727 . . . . 0.0 115.337 170.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.05 -37.47 75.55 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.39 -42.25 91.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -67.26 -27.41 67.18 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.63 -47.54 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-O 116.274 -1.822 . . . . 0.0 111.534 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -56.68 -29.91 62.85 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.6 -31.23 52.82 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.687 1.13 . . . . 0.0 113.457 168.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.257 24.1 mt -62.76 -60.9 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.744 0 C-N-CA 124.797 1.239 . . . . 0.0 108.921 169.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -45.28 -33.88 2.62 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.52 65.94 Favored Glycine 0 CA--C 1.555 2.539 0 CA-C-O 118.305 -1.275 . . . . 0.0 114.621 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.34 -38.87 91.17 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.389 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.34 -48.84 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 C-N-CA 125.671 1.588 . . . . 0.0 111.409 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.68 -44.53 85.86 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 169.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -59.8 -27.25 66.42 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -73.21 -64.02 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.253 0 CA-C-O 115.325 -2.274 . . . . 0.0 106.776 169.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.19 26.36 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.39 -47.63 47.78 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 117.167 -1.397 . . . . 0.0 112.267 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -68.92 -41.94 77.46 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 116.454 -1.736 . . . . 0.0 113.873 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.7 -47.0 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.804 -2.046 . . . . 0.0 110.76 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.41 -34.33 72.33 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 121.364 1.893 . . . . 0.0 115.432 169.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.97 -47.8 76.3 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -46.56 -48.81 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.305 0 C-N-CA 125.209 1.404 . . . . 0.0 111.592 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.8 -29.27 70.59 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.252 -1.832 . . . . 0.0 115.622 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -78.07 -34.28 50.41 Favored 'General case' 0 N--CA 1.511 2.618 0 CA-C-N 120.504 1.502 . . . . 0.0 112.728 168.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.88 -42.74 60.28 Favored 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 125.948 1.699 . . . . 0.0 115.552 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -37.33 82.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 -168.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.1 m -89.98 -17.09 28.53 Favored 'General case' 0 N--CA 1.513 2.686 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 -23.0 22.64 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.596 168.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 mt . . . . . 0 CA--C 1.567 1.606 0 CA-C-O 114.605 -2.616 . . . . 0.0 112.659 -171.178 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.75 -36.4 64.77 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 169.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -75.74 -25.38 56.51 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-O 116.858 -1.544 . . . . 0.0 114.18 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.75 -32.61 71.89 Favored 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 120.98 1.718 . . . . 0.0 115.497 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.72 -22.49 66.06 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 117.521 -1.228 . . . . 0.0 114.098 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.69 -52.66 10.01 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 115.375 -2.25 . . . . 0.0 112.414 170.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -36.24 82.35 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 122.4 2.364 . . . . 0.0 116.848 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -66.49 -44.94 81.23 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.987 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -65.49 -24.68 67.21 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 168.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.54 -41.95 71.85 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.907 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.08 -39.36 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.546 0 CA-C-N 121.638 2.017 . . . . 0.0 110.505 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.72 -45.99 85.02 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-N 121.818 2.099 . . . . 0.0 114.602 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.77 -47.18 63.89 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.573 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -67.32 -49.57 63.61 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 115.791 -2.052 . . . . 0.0 112.957 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 -40.19 68.66 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 115.195 -2.336 . . . . 0.0 115.416 170.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -67.93 -34.49 76.7 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 121.33 1.877 . . . . 0.0 116.039 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -63.05 -42.75 99.78 Favored 'General case' 0 CA--C 1.582 2.179 0 CA-C-N 120.471 1.487 . . . . 0.0 114.468 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 p -79.36 -53.95 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.873 -1.537 . . . . 0.0 113.882 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.254 28.1 ptt180 -57.29 -43.89 83.57 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 120.623 1.556 . . . . 0.0 113.849 -172.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.6 m -69.88 -16.25 63.21 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -88.86 -36.99 15.68 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 120.478 1.49 . . . . 0.0 112.955 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.339 1.7 tt -62.25 -44.27 96.94 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 112.8 169.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -37.8 74.94 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 116.096 -1.906 . . . . 0.0 114.458 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 m -53.99 -28.56 38.56 Favored 'General case' 0 N--CA 1.505 2.275 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.0 mm -70.02 -46.51 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.423 0 CA-C-O 116.686 -1.626 . . . . 0.0 107.477 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -44.04 84.18 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 169.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.91 -42.86 94.8 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 172.034 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.438 ' H ' ' HD3' ' A' ' 114' ' ' ARG . . . . . . . . 0 N--CA 1.497 1.882 1 N-CA-C 121.923 4.045 . . . . 0.0 121.923 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.09 -52.63 9.75 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.852 1.661 . . . . 0.0 113.905 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.64 -2.8 44.3 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.438 ' HD3' ' H ' ' A' ' 111' ' ' ALA . 56.3 mtp180 -91.07 -47.28 7.64 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 125.31 1.444 . . . . 0.0 109.336 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.27 4.4 mt -51.81 -50.05 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 126.665 1.986 . . . . 0.0 111.56 168.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.84 -42.77 98.42 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 125.159 1.384 . . . . 0.0 114.076 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -67.07 -28.02 67.84 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 m -63.02 -48.18 79.87 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.177 1.353 . . . . 0.0 113.745 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -77.59 -45.11 26.23 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 115.353 -2.26 . . . . 0.0 113.502 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -47.46 -51.55 19.87 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 122.223 2.283 . . . . 0.0 115.208 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -73.03 -31.1 64.23 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -71.72 -46.98 56.94 Favored 'General case' 0 CA--C 1.582 2.202 0 CA-C-N 120.784 1.629 . . . . 0.0 112.399 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.41 -42.8 99.31 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 170.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -62.85 -32.47 73.7 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 116.998 -1.477 . . . . 0.0 114.879 168.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -61.19 -47.86 84.2 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 116.893 -1.527 . . . . 0.0 113.375 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -64.56 -25.05 67.81 Favored 'General case' 0 CA--C 1.578 2.038 0 CA-C-N 119.912 1.233 . . . . 0.0 114.24 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.92 -43.1 93.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 169.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.05 -43.06 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 C-N-CA 125.393 1.477 . . . . 0.0 110.282 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.57 -12.61 1.85 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.53 -59.98 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 CA-C-O 115.697 -2.097 . . . . 0.0 107.251 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mmm -63.29 -37.98 89.36 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.335 2.334 . . . . 0.0 114.985 -171.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -63.06 -28.05 69.82 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.88 -45.78 26.94 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 116.6 -1.667 . . . . 0.0 112.132 169.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -61.35 -26.02 67.54 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 169.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.84 -42.95 99.67 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.358 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.01 60.88 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.1 m -69.74 -47.43 63.06 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.482 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.09 -43.03 95.81 Favored 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 120.517 1.508 . . . . 0.0 114.514 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.9 m -66.94 -28.14 68.05 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 115.893 -2.003 . . . . 0.0 114.9 168.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.49 -31.22 70.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 169.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.503 2.181 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.283 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.95 -43.57 78.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.88 -39.22 30.94 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 116.474 -1.727 . . . . 0.0 114.419 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.5 mtp -69.35 -41.86 76.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-O 116.015 -1.945 . . . . 0.0 113.049 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.05 -41.36 74.93 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 121.413 1.915 . . . . 0.0 114.938 169.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.57 -39.12 93.16 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 120.034 1.288 . . . . 0.0 113.42 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -61.01 -41.54 96.74 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 116.31 -1.805 . . . . 0.0 115.652 169.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.5 -32.62 72.71 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.327 0.5 OUTLIER -73.31 -46.41 49.67 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 125.435 1.494 . . . . 0.0 114.665 176.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.67 -38.0 85.91 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -45.93 -44.07 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -62.13 -41.62 98.43 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.558 -1.687 . . . . 0.0 114.66 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.46 -31.46 69.77 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.48 -55.13 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 CA-C-O 116.443 -1.741 . . . . 0.0 108.586 169.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -44.43 -33.98 1.88 Allowed 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.12 48.04 Favored Glycine 0 CA--C 1.554 2.469 0 C-N-CA 124.893 1.235 . . . . 0.0 113.908 168.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.93 -27.19 69.2 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 116.513 -1.708 . . . . 0.0 115.096 168.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.58 -59.48 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.69 0 CA-C-O 116.633 -1.651 . . . . 0.0 109.014 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.65 -36.77 47.51 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 170.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -63.23 -21.59 66.32 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.56 -67.59 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.225 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.67 29.15 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 118.586 2.81 . . . . 0.0 118.586 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -76.51 -45.45 30.83 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.761 -1.59 . . . . 0.0 112.059 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.68 -43.71 71.95 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.95 1.705 . . . . 0.0 113.831 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.6 -46.13 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 C-N-CA 126.163 1.785 . . . . 0.0 110.82 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.59 -33.75 68.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 120.486 1.493 . . . . 0.0 113.943 168.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -66.76 -43.42 84.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 168.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -46.89 -46.54 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.184 0 C-N-CA 125.797 1.639 . . . . 0.0 112.455 169.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.64 -31.52 70.72 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-O 115.806 -2.045 . . . . 0.0 115.636 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.97 -25.74 61.11 Favored 'General case' 0 CA--C 1.586 2.335 0 CA-C-N 121.332 1.878 . . . . 0.0 112.62 168.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.24 -65.18 1.03 Allowed 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.442 1.897 . . . . 0.0 112.529 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -48.69 -38.55 21.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.0 t -82.19 -31.28 30.45 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.03 -16.95 57.64 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 122.011 2.187 . . . . 0.0 114.839 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.489 1.512 0 C-N-CA 127.548 2.339 . . . . 0.0 106.055 170.105 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 116.687 -1.625 . . . . 0.0 113.676 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.11 -37.41 71.92 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 120.621 1.555 . . . . 0.0 113.386 168.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.9 -13.74 59.78 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.333 -2.27 . . . . 0.0 114.954 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -48.65 66.62 Favored 'General case' 0 N--CA 1.507 2.386 0 CA-C-N 123.337 2.789 . . . . 0.0 113.928 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.86 -27.77 69.39 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -73.07 -52.8 12.97 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.336 -2.269 . . . . 0.0 112.976 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.12 -42.53 84.34 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 122.048 2.204 . . . . 0.0 115.959 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 mmt -66.14 -44.85 82.99 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 117.146 -1.406 . . . . 0.0 113.637 171.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -65.33 -25.83 67.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 168.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.18 -46.24 81.61 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 170.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 mt -69.91 -36.44 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 CA-C-O 116.27 -1.824 . . . . 0.0 110.684 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.39 -49.98 74.73 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 121.062 1.755 . . . . 0.0 113.512 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.36 -43.93 72.58 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 116.7 -1.619 . . . . 0.0 114.304 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 m -68.94 -49.92 53.84 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 115.672 -2.108 . . . . 0.0 112.907 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.58 89.7 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.147 -2.359 . . . . 0.0 114.654 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.91 -33.63 76.02 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 121.487 1.948 . . . . 0.0 115.998 170.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -61.5 -36.87 81.72 Favored 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 p -90.28 -53.72 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 125.658 1.583 . . . . 0.0 113.32 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -57.34 -42.24 81.55 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.053 1.297 . . . . 0.0 114.33 -170.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 m -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.48 -36.67 20.42 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.809 1.641 . . . . 0.0 112.307 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.31 1.3 tt -67.47 -38.56 84.6 Favored 'General case' 0 CA--C 1.583 2.234 0 C-N-CA 125.847 1.659 . . . . 0.0 112.319 169.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.9 -29.98 70.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 115.535 -2.174 . . . . 0.0 114.323 168.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -62.07 -22.29 65.66 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 121.747 2.067 . . . . 0.0 115.971 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.9 mm -77.12 -54.93 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 CA-C-O 115.879 -2.01 . . . . 0.0 108.044 169.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.61 -34.58 74.45 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-N 121.751 2.069 . . . . 0.0 116.113 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -63.11 -41.64 99.39 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.902 1.681 . . . . 0.0 114.882 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 173.458 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -37.4 54.74 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.482 HD11 HH21 ' A' ' 116' ' ' ARG . 15.1 tp -63.64 -33.45 75.65 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 125.799 1.64 . . . . 0.0 114.978 169.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -90.82 -38.45 12.96 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.661 1.584 . . . . 0.0 110.192 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 47.2 mt -51.7 -37.3 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.777 0 C-N-CA 127.623 2.369 . . . . 0.0 110.158 167.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.482 HH21 HD11 ' A' ' 113' ' ' LEU . 13.8 mtm180 -61.44 -46.94 87.97 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.658 1.583 . . . . 0.0 113.025 170.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -63.54 -23.16 67.27 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -63.58 -48.88 75.6 Favored 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.854 1.262 . . . . 0.0 113.503 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -76.08 -40.26 53.48 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 116.011 -1.947 . . . . 0.0 113.974 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.76 -35.06 79.34 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 115.751 -2.071 . . . . 0.0 115.842 170.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -36.01 75.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 169.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m -71.03 -45.73 63.38 Favored 'General case' 0 CA--C 1.583 2.234 0 CA-C-N 119.923 1.238 . . . . 0.0 111.89 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -47.31 86.67 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.664 1.585 . . . . 0.0 114.759 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.4 t -67.88 -45.7 73.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 115.925 -1.988 . . . . 0.0 114.971 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -52.6 -42.22 64.37 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 121.468 1.94 . . . . 0.0 114.813 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -68.05 -33.2 74.12 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 117.448 -1.263 . . . . 0.0 113.392 168.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -40.93 97.14 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 171.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.35 -38.82 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.926 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.82 -6.9 0.6 Allowed 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 169.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.14 -54.41 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 116.685 -1.626 . . . . 0.0 112.653 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.3 mmm -62.82 -40.9 98.82 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.048 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -63.75 -25.72 68.32 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 168.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.05 -41.78 49.67 Favored 'General case' 0 CA--C 1.573 1.843 0 CA-C-O 116.557 -1.687 . . . . 0.0 111.458 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.19 -31.57 63.56 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -64.35 -45.4 87.96 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 117.661 -1.161 . . . . 0.0 114.024 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.11 -15.43 62.97 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.507 167.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 43.5 m -69.45 -41.14 76.67 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 116.18 -1.867 . . . . 0.0 114.846 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.74 -39.29 70.17 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.553 -1.689 . . . . 0.0 114.803 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.2 t -75.64 -42.05 52.55 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.01 169.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.96 -8.01 40.55 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 121.279 1.854 . . . . 0.0 113.002 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.377 1.802 0 CA-C-O 116.366 -1.778 . . . . 0.0 111.873 167.623 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.96 -41.34 91.36 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 121.421 1.919 . . . . 0.0 115.964 -175.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -78.46 -38.58 40.79 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 116.691 -1.623 . . . . 0.0 114.332 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.0 -39.14 83.28 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.073 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.28 -41.86 85.28 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-N 120.472 1.487 . . . . 0.0 114.074 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.83 -33.35 75.79 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 117.187 -1.387 . . . . 0.0 113.919 168.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.55 -45.24 87.95 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 116.213 -1.851 . . . . 0.0 115.459 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -65.32 -34.34 78.09 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 121.144 1.793 . . . . 0.0 115.794 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.73 -45.54 71.24 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 126.459 1.904 . . . . 0.0 115.884 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.59 -38.14 77.22 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.68 -44.88 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.05 -31.0 72.04 Favored 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.53 -41.94 83.55 Favored 'General case' 0 CA--C 1.587 2.371 0 C-N-CA 124.485 1.114 . . . . 0.0 113.46 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 36.8 mt -54.19 -61.17 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 C-N-CA 127.51 2.324 . . . . 0.0 110.098 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -51.07 -29.04 11.88 Favored 'General case' 0 N--CA 1.517 2.907 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.55 -51.98 38.16 Favored Glycine 0 CA--C 1.556 2.602 0 CA-C-O 118.153 -1.36 . . . . 0.0 115.11 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.23 -40.22 89.44 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.1 mt -61.94 -45.24 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.769 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.498 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -49.4 -44.78 45.46 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-N 120.233 1.379 . . . . 0.0 114.279 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -64.56 -23.89 67.42 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.88 -64.11 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.287 0 CA-C-O 115.259 -2.305 . . . . 0.0 106.624 169.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -24.33 10.21 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 119.001 2.963 . . . . 0.0 119.001 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.53 -46.08 34.23 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.862 -1.542 . . . . 0.0 112.277 169.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.18 -44.26 76.31 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 116.435 -1.745 . . . . 0.0 114.121 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.38 -47.68 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 CA-C-O 116.51 -1.71 . . . . 0.0 110.73 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.35 -35.38 67.58 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 120.628 1.558 . . . . 0.0 114.086 169.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG2' ' HE ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -68.35 -38.15 81.18 Favored 'General case' 0 CA--C 1.577 1.986 0 CA-C-O 117.115 -1.421 . . . . 0.0 113.786 168.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.43 -53.65 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 CA-C-O 116.74 -1.6 . . . . 0.0 109.829 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -62.83 -27.63 69.46 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HE ' ' HG2' ' A' ' 53' ' ' GLU . 35.9 ptt180 -75.32 -29.3 59.97 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-N 120.605 1.548 . . . . 0.0 112.931 168.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -79.09 -70.57 0.49 Allowed 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 124.409 1.084 . . . . 0.0 112.211 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.482 ' HE2' ' HE2' ' A' ' 79' ' ' MET . 0.3 OUTLIER -51.17 -25.83 5.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.225 3.046 . . . . 0.0 119.225 -169.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 m -90.82 -34.05 15.45 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 116.119 -1.896 . . . . 0.0 115.538 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 120.94 1.7 . . . . 0.0 114.993 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 116.104 -1.903 . . . . 0.0 108.816 173.691 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 118.641 -0.695 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.75 -34.23 1.48 Allowed 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.23 -25.83 52.03 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 117.198 -1.382 . . . . 0.0 114.139 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.08 -37.52 74.64 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 121.042 1.747 . . . . 0.0 115.553 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.36 -20.54 65.6 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 168.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.52 -57.44 3.82 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 116.592 -1.671 . . . . 0.0 111.937 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -29.65 70.85 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.482 ' HE2' ' HE2' ' A' ' 58' ' ' HIS . 41.1 mtt -71.61 -55.47 7.7 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 116.326 -1.797 . . . . 0.0 112.118 170.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 t -55.86 -25.59 42.99 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 117.574 2.435 . . . . 0.0 117.574 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.54 -46.22 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.76 -43.85 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 CA-C-O 114.999 -2.429 . . . . 0.0 110.045 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.859 ' HZ3' ' HH ' ' A' ' 134' ' ' TYR . 11.7 mptt -63.66 -37.19 86.42 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 122.818 2.553 . . . . 0.0 114.837 170.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -68.16 -46.44 70.77 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.351 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.8 m -72.4 -61.0 1.95 Allowed 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 114.901 -2.476 . . . . 0.0 109.761 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.57 24.05 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 123.688 2.949 . . . . 0.0 117.631 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -71.31 -44.08 65.83 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 117.506 -1.235 . . . . 0.0 112.291 168.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.17 -38.54 71.04 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 168.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.69 -51.75 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 C-N-CA 126.064 1.746 . . . . 0.0 110.673 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -55.94 -39.95 72.47 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -67.48 -18.33 65.02 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.29 -47.28 11.68 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 115.788 -2.053 . . . . 0.0 111.888 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.307 0.7 OUTLIER -68.61 -28.69 67.14 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 122.047 2.203 . . . . 0.0 115.613 169.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.9 -26.37 66.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.541 -2.647 . . . . 0.0 114.728 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.4 m -61.43 -24.31 66.44 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 123.189 2.722 . . . . 0.0 114.876 167.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.43 -49.87 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.133 0 C-N-CA 126.631 1.972 . . . . 0.0 109.254 169.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.63 -36.99 74.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.258 1.844 . . . . 0.0 115.662 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.4 -38.62 77.74 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.164 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -51.87 -40.08 60.02 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 169.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.82 -22.37 66.01 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 169.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.66 -41.98 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.733 1.613 . . . . 0.0 109.642 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.5 mt -50.07 -41.24 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.509 0 C-N-CA 128.281 2.632 . . . . 0.0 111.584 168.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -59.35 -43.65 92.77 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.198 1.399 . . . . 0.0 114.099 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -63.16 -39.47 94.75 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 168.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.3 m -60.22 -44.77 94.91 Favored 'General case' 0 CA--C 1.577 1.982 0 C-N-CA 124.931 1.292 . . . . 0.0 113.991 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -77.01 -42.91 36.69 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 115.275 -2.298 . . . . 0.0 113.512 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.78 -36.34 82.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 122.782 2.537 . . . . 0.0 115.76 172.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.9 m -69.38 -39.9 77.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.8 m -69.87 -44.55 69.57 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 120.817 1.644 . . . . 0.0 113.129 169.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.97 -44.29 91.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-O 116.75 -1.595 . . . . 0.0 113.914 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.5 m -70.02 -25.68 63.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 169.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -68.68 -41.72 78.84 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.5 1.5 . . . . 0.0 114.671 170.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -73.15 -36.66 66.69 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.53 1.514 . . . . 0.0 113.296 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.1 -36.43 84.01 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.5 p -69.66 -44.61 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.721 1.6 . . . . 0.0 113.897 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.37 -29.09 47.33 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.78 -55.09 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 CA-C-O 115.542 -2.171 . . . . 0.0 108.388 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.5 tpt -62.98 -43.36 99.01 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 122.341 2.337 . . . . 0.0 114.335 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -66.37 -30.59 71.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.23 -39.2 71.83 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.036 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.859 ' HH ' ' HZ3' ' A' ' 83' ' ' LYS . 26.2 t80 -61.77 -39.94 93.42 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 169.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.04 -40.52 76.94 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 169.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.27 61.27 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 169.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.3 m -65.34 -46.91 78.38 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.597 1.544 . . . . 0.0 113.674 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.56 -46.49 47.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.463 -1.732 . . . . 0.0 113.973 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.6 m -64.66 -36.3 83.81 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.23 -32.68 69.06 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.958 -1.496 . . . . 0.0 114.547 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.2 t80 . . . . . 0 N--CA 1.499 2.008 0 CA-C-N 119.939 1.245 . . . . 0.0 113.772 169.364 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.38 -42.0 93.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 120.873 1.67 . . . . 0.0 115.249 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -81.54 -39.02 25.28 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.587 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mtp -71.26 -43.02 68.03 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 115.878 -2.01 . . . . 0.0 112.755 169.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -56.29 -38.64 71.49 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.737 2.062 . . . . 0.0 115.044 169.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.54 -39.83 92.18 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 116.939 -1.505 . . . . 0.0 113.183 169.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.18 -42.87 87.0 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.79 -45.79 70.37 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.33 -38.45 86.95 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 116.817 2.155 . . . . 0.0 116.817 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -70.73 -35.86 72.91 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.19 -48.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 CA-C-O 116.641 -1.647 . . . . 0.0 113.816 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -60.18 -26.7 66.54 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -43.44 64.75 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.474 169.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.271 18.8 mt -60.74 -54.36 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.861 0 C-N-CA 126.041 1.737 . . . . 0.0 110.546 171.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -53.24 -31.41 43.2 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 169.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -50.07 66.21 Favored Glycine 0 CA--C 1.553 2.407 0 CA-C-O 118.17 -1.35 . . . . 0.0 115.332 168.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.34 -43.23 99.22 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-O 116.779 -1.581 . . . . 0.0 113.358 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.67 -46.78 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 C-N-CA 125.794 1.637 . . . . 0.0 111.032 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -50.5 -46.43 57.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -70.16 -21.49 63.06 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 116.478 -1.725 . . . . 0.0 115.235 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.41 -56.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.942 0 CA-C-O 115.096 -2.383 . . . . 0.0 107.915 169.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.05 78.1 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 122.568 2.44 . . . . 0.0 116.782 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -68.01 -43.13 79.53 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.74 -1.6 . . . . 0.0 112.489 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.72 -45.16 65.43 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.021 -1.942 . . . . 0.0 113.232 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.265 0.3 OUTLIER -61.41 -47.94 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-N 120.56 1.527 . . . . 0.0 114.495 177.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -57.44 -32.91 67.37 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 124.814 1.246 . . . . 0.0 113.085 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 12.5 tt0 -66.83 -47.43 72.0 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 168.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.9 t -44.77 -48.34 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.855 0 C-N-CA 125.445 1.498 . . . . 0.0 111.953 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.85 -26.19 68.22 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.301 -2.285 . . . . 0.0 116.075 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 36.3 ptt180 -80.35 -30.29 37.98 Favored 'General case' 0 N--CA 1.509 2.479 0 CA-C-N 121.944 2.156 . . . . 0.0 113.487 169.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -77.7 -43.36 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.881 2.128 . . . . 0.0 114.287 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -51.01 -30.76 16.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 119.261 3.06 . . . . 0.0 119.261 174.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -82.0 -45.2 15.65 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 116.034 -1.936 . . . . 0.0 114.37 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.59 66.62 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 118.787 2.884 . . . . 0.0 118.787 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.269 39.9 mt . . . . . 0 N--CA 1.503 2.219 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -37.63 -43.92 0.66 Allowed 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -90.03 -25.97 20.54 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.558 -2.163 . . . . 0.0 114.41 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.16 -35.41 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 122.429 2.377 . . . . 0.0 116.088 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.18 -22.45 66.95 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 168.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.33 -56.95 4.11 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-O 115.15 -2.357 . . . . 0.0 111.799 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -31.59 72.55 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.7 mtt -72.93 -47.09 48.63 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 116.856 -1.545 . . . . 0.0 112.156 170.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -65.79 -16.8 64.13 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.24 -45.85 21.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 115.899 -2.0 . . . . 0.0 113.279 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.12 -44.94 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 121.996 2.18 . . . . 0.0 109.91 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -47.97 -52.83 18.15 Favored 'General case' 0 CA--C 1.59 2.494 0 CA-C-N 123.093 2.679 . . . . 0.0 114.024 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.87 -47.16 66.61 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 117.139 -1.41 . . . . 0.0 114.731 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -56.05 8.39 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 115.548 -2.167 . . . . 0.0 111.384 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.75 -39.4 24.8 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 121.243 1.838 . . . . 0.0 115.741 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.91 -38.38 69.93 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.387 -1.768 . . . . 0.0 115.476 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -62.96 -41.5 99.55 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.874 1.67 . . . . 0.0 114.521 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.96 -52.48 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.225 0 CA-C-O 116.206 -1.854 . . . . 0.0 113.13 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.44 -44.62 92.88 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 121.378 1.899 . . . . 0.0 114.027 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.4 m -60.13 -24.17 64.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 168.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.63 -47.86 14.72 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.245 -1.836 . . . . 0.0 113.966 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.3 -20.51 63.01 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 121.229 1.831 . . . . 0.0 114.353 169.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.276 17.2 tptm -60.2 -51.3 70.17 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-O 116.147 -1.882 . . . . 0.0 111.547 168.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -51.47 -23.28 3.8 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.43 -53.52 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 115.871 -2.014 . . . . 0.0 109.347 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.33 -33.87 75.53 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 121.539 1.972 . . . . 0.0 115.446 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -64.84 -43.62 92.43 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 117.58 2.437 . . . . 0.0 117.58 175.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 125.151 2.405 . . . . 0.0 106.612 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -171.59 -51.89 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.499 0 C-N-CA 129.811 3.245 . . . . 0.0 103.903 -169.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -27.08 67.49 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.358 2.263 . . . . 0.0 112.539 166.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -90.05 -44.69 9.66 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 128.257 2.623 . . . . 0.0 108.417 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.26 -50.2 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.674 0 C-N-CA 127.95 2.5 . . . . 0.0 110.554 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -64.26 -39.46 93.99 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.707 1.603 . . . . 0.0 113.371 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -66.85 -33.1 74.85 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.615 167.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.5 m -58.22 -42.43 86.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -71.57 -44.82 63.81 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.649 -2.12 . . . . 0.0 113.819 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -61.07 -34.45 74.93 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 122.028 2.194 . . . . 0.0 115.924 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.9 m -69.18 -40.22 78.25 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m -69.33 -43.57 73.42 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-N 120.728 1.604 . . . . 0.0 113.088 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.78 -47.52 82.31 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 125.743 1.617 . . . . 0.0 112.761 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.8 t -63.82 -39.86 95.24 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 116.4 -1.762 . . . . 0.0 115.294 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.88 -44.15 77.85 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 120.845 1.657 . . . . 0.0 115.314 173.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -72.57 -27.53 62.25 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.402 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 169.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.2 t -77.73 -44.6 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.754 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.95 -9.68 1.45 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 169.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.7 -66.97 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 CA-C-O 116.108 -1.901 . . . . 0.0 108.107 172.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.2 mmm -63.44 -46.21 87.32 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.895 2.134 . . . . 0.0 113.37 -169.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -21.59 66.75 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 168.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.32 -45.26 40.76 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.396 168.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.99 -35.59 75.34 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 168.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -48.96 -40.56 30.89 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.946 1.298 . . . . 0.0 114.274 168.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.19 52.29 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.427 168.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.9 m -65.67 -48.99 70.25 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.046 1.748 . . . . 0.0 113.584 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -70.31 -46.52 64.1 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.144 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m -71.75 -29.59 64.67 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.84 -17.53 58.93 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 121.241 1.837 . . . . 0.0 113.145 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.492 1.649 0 CA-C-N 120.54 1.518 . . . . 0.0 112.338 169.532 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.566 1.583 0 CA-C-O 116.751 -1.595 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -69.45 -32.63 71.68 Favored 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -62.63 -44.26 96.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mmm -67.03 -37.83 84.82 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.771 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -55.1 -40.64 70.66 Favored 'General case' 0 N--CA 1.505 2.302 0 CA-C-O 117.312 -1.327 . . . . 0.0 114.467 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.71 -37.38 84.58 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.25 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.78 -41.11 97.31 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 116.265 -1.826 . . . . 0.0 115.588 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -68.15 -33.74 75.04 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.31 0.0 OUTLIER -72.7 -45.2 60.01 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 177.363 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.53 -39.63 85.05 Favored 'General case' 0 N--CA 1.503 2.225 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -44.92 -45.3 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.906 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.55 -41.44 97.37 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 116.422 -1.752 . . . . 0.0 114.651 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.0 -26.65 65.12 Favored 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 168.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 21.5 mt -66.7 -54.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.849 0 C-N-CA 125.311 1.444 . . . . 0.0 109.46 169.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -50.04 -34.36 21.15 Favored 'General case' 0 N--CA 1.511 2.604 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.52 58.14 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 124.928 1.252 . . . . 0.0 115.118 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.23 -33.92 76.53 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 116.374 -1.774 . . . . 0.0 114.802 168.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.73 -54.54 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 CA-C-O 116.707 -1.616 . . . . 0.0 109.558 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.81 -45.12 39.89 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.72 -17.51 35.33 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 169.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.9 mm -80.06 -66.14 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 CA-C-O 115.353 -2.26 . . . . 0.0 105.491 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.87 5.02 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.2 -43.34 34.06 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.264 -1.35 . . . . 0.0 113.231 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.88 -40.0 95.51 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.258 -1.83 . . . . 0.0 114.855 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -48.58 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 CA-C-O 116.324 -1.798 . . . . 0.0 110.243 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.75 -33.13 33.58 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 120.942 1.701 . . . . 0.0 115.297 169.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.23 -38.68 71.96 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 117.261 -1.352 . . . . 0.0 113.527 168.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.9 -41.79 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 CA-C-O 116.395 -1.764 . . . . 0.0 112.474 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -33.15 74.48 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 115.343 -2.265 . . . . 0.0 115.658 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -70.01 -28.43 65.49 Favored 'General case' 0 N--CA 1.516 2.856 0 CA-C-N 122.153 2.252 . . . . 0.0 113.795 168.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -74.1 -70.37 0.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.241 1.417 . . . . 0.0 111.617 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -49.43 -23.25 1.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 119.257 3.058 . . . . 0.0 119.257 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -90.82 -38.26 13.09 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.708 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.82 -26.33 44.21 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.253 1.842 . . . . 0.0 114.942 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.567 1.613 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.829 178.293 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt . . . . . 0 N--CA 1.5 2.066 0 CA-C-O 116.011 -1.947 . . . . 0.0 114.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.86 -33.28 35.65 Favored 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 122.5 2.409 . . . . 0.0 115.288 169.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -73.43 -23.15 60.09 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 115.98 -1.962 . . . . 0.0 114.223 168.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.5 mt -56.5 -33.26 65.83 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.11 2.232 . . . . 0.0 115.579 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.62 -28.86 69.9 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.58 -53.2 9.85 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 115.946 -1.978 . . . . 0.0 112.525 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.11 -28.53 69.5 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.1 mtt -72.01 -45.19 61.85 Favored 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 116.945 -1.502 . . . . 0.0 112.554 169.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.97 -26.41 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.63 -43.41 72.74 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 116.448 -1.739 . . . . 0.0 115.086 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.57 -39.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 CA-C-O 115.882 -2.009 . . . . 0.0 110.269 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -59.45 -43.85 93.07 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-N 121.65 2.023 . . . . 0.0 114.504 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.38 -47.4 67.47 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.446 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.7 m -69.06 -50.05 51.94 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.785 175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.04 -41.8 68.47 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 115.313 -2.279 . . . . 0.0 115.245 172.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -69.01 -36.37 77.7 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 121.164 1.802 . . . . 0.0 115.755 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -35.16 75.24 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.12 -52.95 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 125.882 1.673 . . . . 0.0 114.078 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -59.15 -43.11 92.03 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.975 1.31 . . . . 0.0 114.077 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.0 m -66.62 -22.89 66.11 Favored 'General case' 0 CA--C 1.563 1.469 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -88.05 -32.59 18.69 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.471 1.487 . . . . 0.0 113.065 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.305 0.9 OUTLIER -68.81 -44.1 74.23 Favored 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 125.493 1.517 . . . . 0.0 112.922 169.777 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -33.86 60.45 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 116.504 -1.712 . . . . 0.0 114.671 169.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.5 t -56.19 -26.32 50.37 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 168.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.33 -49.93 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.257 0 CA-C-O 116.328 -1.796 . . . . 0.0 107.462 168.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.96 -42.34 68.82 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 169.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -58.41 -40.25 81.96 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 118.013 2.598 . . . . 0.0 118.013 173.266 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 116.917 -1.516 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.39 -38.43 63.37 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 169.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.61 -30.97 63.84 Favored 'General case' 0 N--CA 1.507 2.416 0 C-N-CA 125.942 1.697 . . . . 0.0 114.885 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.2 -36.04 15.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.094 1.758 . . . . 0.0 109.715 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.13 -43.87 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.515 0 C-N-CA 127.403 2.281 . . . . 0.0 110.514 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -58.07 -41.28 83.03 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.769 1.228 . . . . 0.0 114.092 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -33.34 62.9 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 171.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.5 m -49.5 -41.01 39.67 Favored 'General case' 0 CA--C 1.586 2.33 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -79.46 -41.61 27.16 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.159 -1.877 . . . . 0.0 114.029 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -56.31 -47.14 79.29 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 121.816 2.098 . . . . 0.0 115.574 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.5 m -68.98 -30.17 68.53 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.3 m -73.68 -50.27 21.73 Favored 'General case' 0 CA--C 1.583 2.236 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.428 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.7 -40.53 95.53 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.972 -1.966 . . . . 0.0 115.311 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -66.57 -43.03 86.11 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 116.338 -1.792 . . . . 0.0 115.115 171.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -53.11 -43.68 67.04 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.826 1.648 . . . . 0.0 114.129 169.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -70.31 -29.38 66.09 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.635 -1.174 . . . . 0.0 113.925 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.54 -37.18 85.98 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.34 -45.09 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 125.509 1.523 . . . . 0.0 109.949 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -55.2 -11.0 0.63 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -106.91 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 CA-C-O 115.994 -1.955 . . . . 0.0 106.764 170.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 32.3 mmt -55.0 -38.06 67.39 Favored 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 122.162 2.255 . . . . 0.0 115.793 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -68.27 -32.16 72.12 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 169.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.63 -47.79 62.21 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 125.168 1.387 . . . . 0.0 112.527 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -55.38 -29.3 58.19 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.67 -47.94 68.06 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 117.234 -1.365 . . . . 0.0 114.107 169.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.78 -14.67 63.18 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 168.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.6 m -71.43 -49.58 40.26 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.669 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.25 -42.88 65.12 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 116.555 -1.688 . . . . 0.0 114.286 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.7 m -65.07 -39.8 93.76 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.2 -25.16 66.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 120.612 1.551 . . . . 0.0 115.018 169.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.8 t80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.079 -1.439 . . . . 0.0 113.72 169.458 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 116.447 -1.74 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -64.49 -43.44 94.13 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 115.937 1.828 . . . . 0.0 115.937 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.39 -43.46 50.02 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.6 mmm -72.04 -38.76 69.47 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 116.577 -1.678 . . . . 0.0 112.605 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.58 -39.03 75.83 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 115.843 -2.027 . . . . 0.0 115.121 169.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.9 -40.79 83.42 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 121.599 2.0 . . . . 0.0 114.353 168.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.29 -47.9 80.29 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 170.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -70.95 -43.17 68.71 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 116.369 -1.777 . . . . 0.0 114.809 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.92 -41.1 78.63 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -45.41 -41.52 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 171.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.65 -37.82 87.89 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.56 -27.0 60.32 Favored 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 168.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.29 25.5 mt -63.14 -59.01 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 C-N-CA 126.725 2.01 . . . . 0.0 109.215 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -46.53 -31.33 2.7 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 122.041 2.2 . . . . 0.0 116.818 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.66 33.46 Favored Glycine 0 CA--C 1.552 2.386 0 CA-C-O 117.905 -1.497 . . . . 0.0 115.361 168.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -60.99 -33.57 73.44 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.422 -1.752 . . . . 0.0 115.293 169.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.9 -52.74 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.677 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.852 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -47.59 -41.25 21.24 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 169.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -64.57 -23.64 67.33 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -68.74 -53.51 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.952 0 CA-C-O 115.355 -2.259 . . . . 0.0 109.006 169.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.52 82.78 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.013 2.188 . . . . 0.0 116.144 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.77 -44.49 81.23 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 116.706 -1.616 . . . . 0.0 113.056 169.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.88 -42.28 77.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 116.422 -1.751 . . . . 0.0 114.242 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.253 0.9 OUTLIER -63.84 -48.68 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 CA-C-N 120.245 1.384 . . . . 0.0 113.967 179.019 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.14 -33.73 69.49 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.487 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.87 -45.55 85.57 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -50.85 -44.96 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.953 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.261 168.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -60.15 -32.91 71.48 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.66 -35.54 62.82 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 120.074 1.306 . . . . 0.0 113.29 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.82 -40.21 33.5 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -35.53 81.0 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 -174.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -76.27 -48.43 20.22 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 116.449 -1.738 . . . . 0.0 115.17 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 169.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.9 mt . . . . . 0 CA--C 1.581 2.159 0 CA-C-O 116.066 -1.921 . . . . 0.0 108.832 170.602 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 116.892 -1.528 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -55.45 -31.37 61.89 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 169.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.85 -28.92 62.81 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 115.383 -2.246 . . . . 0.0 115.226 169.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.18 -39.87 95.89 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 122.784 2.538 . . . . 0.0 115.343 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.86 -25.99 67.87 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 116.905 -1.522 . . . . 0.0 113.954 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -70.94 -51.52 25.36 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-O 115.035 -2.412 . . . . 0.0 112.633 170.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.75 -36.98 85.1 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.443 2.383 . . . . 0.0 117.306 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.2 mtt -72.13 -43.53 64.55 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 116.956 -1.497 . . . . 0.0 113.306 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -66.12 -20.43 66.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.32 -49.52 22.59 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 117.24 -1.362 . . . . 0.0 114.019 169.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.74 -39.78 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.369 0 CA-C-O 116.444 -1.741 . . . . 0.0 110.085 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -57.64 -52.64 64.59 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 121.041 1.746 . . . . 0.0 113.795 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -69.9 -43.16 72.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 116.63 -1.652 . . . . 0.0 114.624 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.5 m -70.54 -60.39 2.29 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 114.232 -2.794 . . . . 0.0 110.311 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -36.5 45.59 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 123.082 2.674 . . . . 0.0 115.666 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -69.0 -39.71 79.18 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 116.28 -1.819 . . . . 0.0 115.375 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.24 -39.49 69.8 Favored 'General case' 0 CA--C 1.588 2.437 0 CA-C-N 121.446 1.93 . . . . 0.0 114.865 169.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . 0.255 11.7 p -90.41 -53.18 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.323 0 C-N-CA 126.78 2.032 . . . . 0.0 113.509 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.25 16.0 ptt180 -58.28 -46.51 85.92 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 120.621 1.555 . . . . 0.0 112.571 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 t -60.21 -18.99 52.23 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 167.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -73.05 -35.29 66.68 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 124.053 0.941 . . . . 0.0 110.612 168.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.62 -38.11 83.66 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.692 167.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -55.73 -29.26 59.22 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 115.634 -2.127 . . . . 0.0 116.309 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -69.3 -23.58 63.83 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 120.809 1.64 . . . . 0.0 114.662 167.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.7 mm -81.05 -49.7 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 C-N-CA 126.714 2.006 . . . . 0.0 109.695 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.92 -38.59 73.06 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.72 -38.19 72.0 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 173.673 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.581 ' C ' ' H ' ' A' ' 113' ' ' LEU . . . . . . . . 0 CA--C 1.585 2.298 0 N-CA-C 100.93 -3.73 . . . . 0.0 100.93 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.76 -37.51 0.3 Allowed 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 128.883 2.873 . . . . 0.0 114.732 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.581 ' H ' ' C ' ' A' ' 111' ' ' ALA . 8.7 tt -66.82 -34.89 78.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 129.048 2.939 . . . . 0.0 113.341 168.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -87.68 -32.23 19.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.208 1.803 . . . . 0.0 110.051 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.254 22.3 mt -57.8 -48.89 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 C-N-CA 127.951 2.5 . . . . 0.0 109.845 167.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.72 -44.8 86.2 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 125.606 1.562 . . . . 0.0 113.971 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.12 -34.35 76.18 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 125.594 1.558 . . . . 0.0 115.061 168.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -62.09 -47.05 86.37 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 124.861 1.264 . . . . 0.0 113.842 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -83.32 -36.41 24.46 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 115.401 -2.237 . . . . 0.0 115.68 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.09 -37.09 76.31 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 122.737 2.517 . . . . 0.0 116.26 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.1 m -70.75 -40.12 72.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 116.025 -1.941 . . . . 0.0 115.919 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.7 m -69.0 -43.06 75.62 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 121.253 1.842 . . . . 0.0 113.027 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.19 -52.39 65.77 Favored 'General case' 0 CA--C 1.581 2.151 0 C-N-CA 125.611 1.564 . . . . 0.0 112.704 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -61.05 -40.54 94.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.254 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -53.51 -43.33 68.2 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 125.646 1.578 . . . . 0.0 113.965 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -60.34 -34.61 74.08 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.554 169.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -69.25 -37.43 77.93 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 116.095 -1.907 . . . . 0.0 115.828 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.69 -37.12 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 121.684 2.038 . . . . 0.0 111.496 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.39 -5.9 2.85 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.4 t -131.77 -43.9 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 114.921 -2.466 . . . . 0.0 111.239 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -46.34 75.41 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 123.627 2.922 . . . . 0.0 114.048 173.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 t -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.512 2.042 . . . . 0.0 116.512 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.98 -47.3 25.53 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.793 1.637 . . . . 0.0 111.963 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -57.08 -30.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -51.52 -38.18 52.88 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 117.51 -1.233 . . . . 0.0 114.147 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.42 76.71 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 91.3 m -73.82 -56.77 4.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.363 1.438 . . . . 0.0 112.018 174.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -59.9 -35.46 74.91 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.2 t -74.89 -47.3 30.73 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 114.739 -2.553 . . . . 0.0 112.392 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.61 -17.23 7.94 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 122.557 2.435 . . . . 0.0 117.106 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 CA--C 1.579 2.073 0 CA-C-N 121.528 1.967 . . . . 0.0 114.412 168.497 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 116.533 -1.698 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -67.3 -44.79 78.37 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.221 1.828 . . . . 0.0 115.218 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.81 -39.75 26.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 116.615 -1.66 . . . . 0.0 114.37 -175.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.2 mtp -67.89 -38.93 83.61 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-O 116.269 -1.824 . . . . 0.0 113.441 169.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.78 -44.46 86.24 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 121.171 1.805 . . . . 0.0 114.332 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.03 -35.24 78.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 120.284 1.402 . . . . 0.0 113.868 169.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.88 -39.76 94.94 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 116.303 -1.808 . . . . 0.0 115.511 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -64.94 -42.7 94.43 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.958 1.708 . . . . 0.0 115.596 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.5 -42.86 82.18 Favored 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 126.499 1.92 . . . . 0.0 116.113 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.8 -34.71 72.03 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.18 -45.61 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.837 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.569 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.45 -24.89 58.36 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.06 -43.94 50.47 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 124.415 1.086 . . . . 0.0 111.515 169.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.262 22.6 mt -57.5 -59.27 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 125.713 1.605 . . . . 0.0 109.769 172.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -44.49 -34.41 2.07 Favored 'General case' 0 N--CA 1.51 2.531 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.78 -50.4 68.11 Favored Glycine 0 CA--C 1.555 2.59 0 CA-C-O 118.509 -1.162 . . . . 0.0 114.203 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.97 -33.96 77.28 Favored 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 116.789 -1.577 . . . . 0.0 114.971 168.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.81 -54.66 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.045 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -37.47 71.88 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 172.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -64.62 -34.91 79.37 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.982 -1.961 . . . . 0.0 115.648 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.31 -60.92 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.127 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.35 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.0 63.89 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 123.224 2.738 . . . . 0.0 118.13 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.77 -47.58 25.3 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.909 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -67.3 -42.8 83.13 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 116.903 -1.523 . . . . 0.0 114.054 174.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.39 -47.25 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 115.872 -2.013 . . . . 0.0 110.322 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.12 -34.89 68.82 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-N 121.473 1.942 . . . . 0.0 114.826 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -69.67 -31.89 70.21 Favored 'General case' 0 CA--C 1.584 2.261 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.158 168.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.69 -53.44 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.114 0 CA-C-O 116.022 -1.942 . . . . 0.0 110.091 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -62.0 -23.02 66.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -77.12 -37.24 54.51 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 120.446 1.475 . . . . 0.0 112.312 168.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -68.13 -56.14 9.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -49.68 -21.92 1.19 Allowed 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 119.011 2.967 . . . . 0.0 119.011 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.2 m -88.01 -48.91 7.4 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 116.484 -1.722 . . . . 0.0 113.614 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.21 65.04 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.256 35.8 mt . . . . . 0 N--CA 1.508 2.441 0 CA-C-O 116.679 -1.629 . . . . 0.0 107.892 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 116.616 -1.659 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.6 -37.13 26.5 Favored 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 121.078 1.763 . . . . 0.0 115.437 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.42 -29.4 59.72 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.814 -2.041 . . . . 0.0 114.919 169.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.61 -41.22 98.33 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-N 121.731 2.06 . . . . 0.0 115.007 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.41 -22.36 63.69 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.589 -1.672 . . . . 0.0 113.655 168.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.29 -57.63 3.77 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.435 -2.222 . . . . 0.0 111.828 170.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.42 -30.0 70.91 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtt -73.81 -55.56 6.07 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 116.578 -1.677 . . . . 0.0 110.674 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -54.15 -30.06 47.78 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 169.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.16 -39.83 78.54 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.625 -1.655 . . . . 0.0 114.739 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.13 -41.51 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 CA-C-O 113.885 -2.959 . . . . 0.0 109.934 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -45.08 92.35 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 125.073 3.578 . . . . 0.0 114.04 169.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -71.41 -43.95 65.82 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 116.725 -1.607 . . . . 0.0 114.669 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.6 m -71.17 -54.74 9.97 Favored 'General case' 0 CA--C 1.576 1.95 0 CA-C-O 114.824 -2.512 . . . . 0.0 111.12 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.24 -40.49 34.16 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-N 122.324 2.329 . . . . 0.0 115.455 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -71.28 -42.85 68.21 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.138 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -55.09 -35.21 64.36 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 169.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.13 -53.01 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 C-N-CA 126.004 1.722 . . . . 0.0 112.993 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -59.9 -45.08 93.66 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-N 120.596 1.544 . . . . 0.0 113.909 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -65.41 -24.22 67.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -81.99 -39.13 24.05 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.54 1.518 . . . . 0.0 112.622 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.352 0.8 OUTLIER -62.91 -48.89 76.98 Favored 'General case' 0 CA--C 1.589 2.456 0 C-N-CA 125.442 1.497 . . . . 0.0 111.719 169.327 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.264 20.8 tptm -54.41 -35.53 63.0 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.387 -1.446 . . . . 0.0 113.004 167.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -63.39 -20.45 65.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.83 -60.61 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 115.778 -2.058 . . . . 0.0 107.491 168.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.76 0.5 23.42 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -82.81 -25.23 32.9 Favored 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 164.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 CA--C 1.567 1.62 0 N-CA-C 120.784 3.624 . . . . 0.0 120.784 -178.443 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -38.31 90.57 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.46 -29.78 70.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.215 1.406 . . . . 0.0 114.186 169.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -90.01 -38.31 13.71 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.632 1.573 . . . . 0.0 110.065 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.269 49.7 mt -51.18 -47.84 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 C-N-CA 127.645 2.378 . . . . 0.0 110.406 167.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -58.25 -42.76 87.12 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 125.289 1.435 . . . . 0.0 114.684 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.42 -30.64 71.05 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.6 m -63.56 -46.54 85.45 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.249 1.42 . . . . 0.0 113.652 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -71.83 -40.78 68.86 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 116.534 -1.698 . . . . 0.0 114.004 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -60.67 -47.9 84.19 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 120.712 1.596 . . . . 0.0 115.135 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.1 t -69.92 -34.1 73.04 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -73.76 -46.37 46.06 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.829 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.22 -43.72 87.86 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 120.69 1.586 . . . . 0.0 114.357 169.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.2 t -63.38 -28.38 69.95 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -67.65 -40.95 84.53 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 124.96 1.304 . . . . 0.0 114.021 169.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -72.9 -34.05 66.4 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.06 1.3 . . . . 0.0 112.255 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.74 -42.47 93.26 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.69 -44.12 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.043 0 CA-C-O 117.127 -1.416 . . . . 0.0 114.216 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.54 -35.18 53.01 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.04 1.866 . . . . 0.0 116.04 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.7 p -90.43 -54.98 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.126 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.184 174.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.6 tpp -60.86 -42.27 97.52 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 121.292 1.86 . . . . 0.0 114.397 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.0 m -65.71 -27.8 68.6 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 168.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.49 -45.25 55.12 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.332 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.67 -35.2 72.2 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 169.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -54.15 -41.32 68.31 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.888 1.675 . . . . 0.0 115.256 169.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.4 -30.23 19.65 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.429 -2.224 . . . . 0.0 116.241 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.9 m -57.78 -42.3 83.83 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 122.296 2.317 . . . . 0.0 114.572 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.5 -51.09 21.52 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.217 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 m -69.33 -36.1 76.59 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.85 -29.95 68.37 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 115.098 -2.382 . . . . 0.0 113.012 168.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.589 2.445 0 CA-C-N 121.529 1.968 . . . . 0.0 115.269 169.457 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -70.43 -36.05 73.75 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -59.49 -42.74 92.8 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.53 -42.29 78.69 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 116.426 -1.749 . . . . 0.0 112.679 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.28 -39.3 63.83 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 121.039 1.745 . . . . 0.0 114.711 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.62 -38.46 89.49 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.781 -1.58 . . . . 0.0 113.289 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.67 -45.07 95.58 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.455 -1.736 . . . . 0.0 115.217 169.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.33 -37.99 89.44 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 7.5 mt-10 -68.72 -43.97 74.86 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.524 1.93 . . . . 0.0 115.483 173.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -73.07 -24.88 60.73 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.75 -50.06 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 CA-C-N 120.946 1.703 . . . . 0.0 113.609 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.7 -30.26 63.27 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.68 -48.41 69.38 Favored 'General case' 0 CA--C 1.577 1.996 0 CA-C-O 117.237 -1.363 . . . . 0.0 112.626 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.266 18.0 mt -54.86 -62.89 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.571 0 C-N-CA 125.06 1.344 . . . . 0.0 108.858 169.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -45.24 -37.21 4.46 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.76 -50.24 69.83 Favored Glycine 0 CA--C 1.556 2.616 0 C-N-CA 124.422 1.01 . . . . 0.0 114.733 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -64.09 -35.84 82.06 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 116.823 -1.56 . . . . 0.0 114.817 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.83 -46.27 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.666 0 CA-C-N 120.712 1.597 . . . . 0.0 110.802 170.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.32 -43.09 92.73 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 169.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -68.15 -22.81 64.84 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -76.16 -66.21 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-O 115.352 -2.261 . . . . 0.0 106.287 169.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.21 17.76 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.56 -43.25 39.77 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.845 -1.55 . . . . 0.0 112.199 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -68.81 -46.44 68.64 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 116.571 -1.68 . . . . 0.0 113.503 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.91 -45.93 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 126.148 1.779 . . . . 0.0 110.846 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.52 -33.34 67.96 Favored 'General case' 0 N--CA 1.508 2.427 0 CA-C-N 120.466 1.485 . . . . 0.0 113.835 168.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -35.11 76.35 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 168.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.01 -49.47 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.04 0 C-N-CA 125.899 1.68 . . . . 0.0 111.593 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.36 -22.88 66.86 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -78.97 -38.54 36.65 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.35 1.432 . . . . 0.0 112.209 168.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -75.13 -46.03 37.1 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.619 1.567 . . . . 0.0 114.308 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -64.07 -27.13 68.89 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.3 m -90.47 -39.62 12.5 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 116.215 -1.85 . . . . 0.0 114.001 169.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.29 -30.24 68.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.276 25.8 mt . . . . . 0 N--CA 1.51 2.573 0 CA-C-O 116.183 -1.865 . . . . 0.0 107.675 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.185 0 CA-C-O 115.484 -2.198 . . . . 0.0 115.773 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.93 -32.28 73.92 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 121.906 2.139 . . . . 0.0 112.752 168.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.01 -33.95 50.93 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 114.434 -2.698 . . . . 0.0 114.674 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.59 -37.8 79.48 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 123.881 3.037 . . . . 0.0 115.446 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.65 -26.49 66.24 Favored 'General case' 0 N--CA 1.505 2.288 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.829 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -73.92 -52.62 12.32 Favored 'General case' 0 CA--C 1.573 1.845 0 CA-C-O 115.712 -2.089 . . . . 0.0 112.667 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.18 -33.6 76.13 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -72.51 -42.2 65.07 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.706 1.594 . . . . 0.0 112.709 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.6 p -62.19 -31.35 71.85 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 168.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.36 -47.63 69.84 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.548 1.539 . . . . 0.0 114.428 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.71 -41.66 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.272 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.063 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -56.28 -53.38 57.88 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 120.819 1.645 . . . . 0.0 113.793 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.85 -42.27 73.79 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.925 -1.512 . . . . 0.0 114.975 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.3 m -73.22 -62.77 1.35 Allowed 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 114.545 -2.645 . . . . 0.0 109.36 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.35 -30.25 18.05 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 124.371 3.259 . . . . 0.0 117.465 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -71.4 -46.1 61.09 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.364 168.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -55.84 -36.73 67.85 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 168.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.67 -51.35 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 127.098 2.159 . . . . 0.0 108.808 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -53.33 -40.54 64.92 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m -63.27 -34.4 77.6 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 171.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -73.67 -28.62 61.85 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 120.79 1.632 . . . . 0.0 113.823 169.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -44.99 90.15 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 169.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -61.17 -38.17 85.53 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -58.47 -25.21 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 169.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mm -78.35 -51.08 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-O 116.314 -1.803 . . . . 0.0 109.522 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -61.35 -30.9 70.81 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -61.23 -43.25 99.18 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 116.585 -1.674 . . . . 0.0 115.137 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 176.253 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 124.603 2.144 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -166.62 -57.75 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 110.681 -2.963 . . . . 0.0 107.831 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -9.87 59.1 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 169.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -90.81 -43.9 9.77 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.865 2.066 . . . . 0.0 109.447 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.256 17.9 mt -55.35 -49.4 73.09 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.518 0 C-N-CA 127.384 2.274 . . . . 0.0 110.667 168.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -59.6 -41.04 89.44 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.95 -33.22 75.24 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 168.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.2 m -61.57 -50.08 74.08 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 125.242 1.417 . . . . 0.0 113.437 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -76.47 -37.52 56.76 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 116.353 -1.784 . . . . 0.0 115.002 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.03 -45.62 91.45 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 121.09 1.768 . . . . 0.0 115.689 171.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -68.98 -33.41 73.64 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.0 m -76.44 -45.29 32.02 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 116.846 -1.549 . . . . 0.0 112.216 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.64 -40.61 92.62 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-O 116.533 -1.699 . . . . 0.0 114.972 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.0 p -68.2 -23.34 64.82 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -69.59 -46.84 65.39 Favored 'General case' 0 CA--C 1.575 1.942 0 C-N-CA 125.167 1.387 . . . . 0.0 113.018 169.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.93 -31.0 70.44 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 120.395 1.452 . . . . 0.0 113.072 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.37 -46.5 86.21 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.864 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.13 -43.84 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.365 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.21 -32.37 69.88 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -88.96 -53.23 9.83 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.263 0 CA-C-O 115.122 -2.371 . . . . 0.0 108.716 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.8 tpp -64.79 -45.59 85.66 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 122.942 2.61 . . . . 0.0 114.18 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.4 m -62.79 -26.54 68.77 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -79.41 -46.04 18.34 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 117.094 -1.432 . . . . 0.0 112.377 169.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.56 -32.62 69.08 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 169.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.74 -41.47 73.95 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 120.09 1.313 . . . . 0.0 113.852 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.16 -21.85 45.88 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.9 m -60.84 -23.85 65.42 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.85 -49.96 26.91 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 120.731 1.605 . . . . 0.0 113.391 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 t -75.27 -34.32 61.35 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.97 -8.65 54.7 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 115.828 -2.035 . . . . 0.0 113.214 167.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.494 1.769 0 CA-C-N 121.448 1.931 . . . . 0.0 113.311 167.184 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 102.114 -3.291 . . . . 0.0 102.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -57.0 -38.47 73.12 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.16 -41.39 18.54 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.638 -1.649 . . . . 0.0 113.924 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mtp -67.11 -36.66 82.41 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 116.313 -1.803 . . . . 0.0 113.631 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -61.29 -45.09 95.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 120.882 1.674 . . . . 0.0 114.662 169.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.23 -38.97 81.3 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 120.862 1.665 . . . . 0.0 113.966 169.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.53 -46.52 86.62 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -68.61 -41.35 79.66 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 116.252 -1.833 . . . . 0.0 115.602 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -66.69 -37.86 85.59 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -66.08 -40.66 91.0 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.98 -50.31 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.722 0 CA-C-O 116.813 -1.565 . . . . 0.0 112.585 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -28.04 64.63 Favored 'General case' 0 N--CA 1.509 2.487 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.7 -42.89 49.72 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.478 1.111 . . . . 0.0 111.699 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.254 26.6 mm -54.03 -58.19 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.434 0 C-N-CA 126.727 2.011 . . . . 0.0 110.455 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -46.39 -33.93 4.26 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.18 -50.82 59.86 Favored Glycine 0 CA--C 1.556 2.631 0 CA-C-O 118.73 -1.039 . . . . 0.0 114.442 168.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.64 -36.69 76.88 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 168.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.23 -49.36 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.697 0 C-N-CA 126.105 1.762 . . . . 0.0 110.37 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.82 -42.54 79.76 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -63.55 -21.6 66.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 169.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.52 -63.72 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.224 0 CA-C-O 115.639 -2.124 . . . . 0.0 106.773 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.32 -24.05 6.89 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 119.08 2.993 . . . . 0.0 119.08 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.3 -46.23 42.47 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 116.737 -1.601 . . . . 0.0 112.257 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -69.29 -45.57 69.29 Favored 'General case' 0 CA--C 1.568 1.649 0 CA-C-N 120.837 1.653 . . . . 0.0 113.904 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.09 -46.46 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 125.896 1.678 . . . . 0.0 111.025 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.98 -37.62 77.25 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 116.523 -1.703 . . . . 0.0 114.437 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.82 -35.63 80.51 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.39 1.45 . . . . 0.0 114.627 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.2 t -54.4 -51.01 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.988 0 CA-C-O 117.081 -1.437 . . . . 0.0 110.205 169.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.69 -24.42 67.63 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -77.67 -38.56 47.36 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.212 1.369 . . . . 0.0 112.158 168.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -76.82 -47.94 19.98 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -30.7 68.69 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 118.756 2.873 . . . . 0.0 118.756 -172.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.6 m -90.12 -15.38 31.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.18 -17.62 27.25 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.271 -1.347 . . . . 0.0 114.33 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 CA--C 1.575 1.906 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.419 -169.554 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.87 -35.8 66.89 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.55 -29.59 64.91 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 116.49 -1.719 . . . . 0.0 115.278 169.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.1 mt -62.55 -35.69 80.25 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 121.205 1.821 . . . . 0.0 114.907 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.97 -21.47 66.5 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 168.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.07 -52.44 8.75 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 114.87 -2.49 . . . . 0.0 112.205 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.46 -35.84 82.25 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 123.428 2.831 . . . . 0.0 117.341 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.2 mtt -70.42 -43.06 70.74 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.127 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -66.74 -27.8 67.91 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 168.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.83 -43.6 75.19 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 171.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.47 -37.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-O 117.073 -1.442 . . . . 0.0 109.986 173.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.39 -49.01 75.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.785 1.634 . . . . 0.0 114.924 169.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -68.82 -46.6 68.19 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 117.296 -1.335 . . . . 0.0 114.234 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -70.83 -58.51 3.55 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 114.826 -2.512 . . . . 0.0 110.189 172.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.04 -35.17 46.28 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 123.458 2.845 . . . . 0.0 115.618 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -69.97 -41.4 74.5 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 122.288 2.313 . . . . 0.0 113.469 169.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -55.82 -36.49 67.53 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -89.72 -55.78 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.934 1.694 . . . . 0.0 110.065 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.263 20.5 ptt180 -59.21 -45.08 92.05 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.303 1.441 . . . . 0.0 113.225 -172.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -62.56 -19.57 63.81 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 168.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.89 -46.88 12.44 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.649 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.34 -21.37 63.83 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 120.993 1.724 . . . . 0.0 113.44 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.255 15.6 tppt? -59.23 -32.1 69.66 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-O 116.266 -1.826 . . . . 0.0 114.07 168.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -62.67 -24.79 67.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.96 -49.78 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 C-N-CA 126.135 1.774 . . . . 0.0 109.177 170.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.97 -27.43 68.27 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -61.42 -34.51 75.52 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 170.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.982 172.053 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.295 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.76 -41.11 98.05 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 116.492 -1.718 . . . . 0.0 114.37 169.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.02 -28.51 67.79 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -86.88 -37.43 17.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.062 1.745 . . . . 0.0 109.811 -169.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.251 52.2 mt -51.9 -38.84 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.978 0 C-N-CA 127.799 2.439 . . . . 0.0 110.602 166.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -47.34 81.66 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 127.144 2.178 . . . . 0.0 112.498 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -62.54 -33.24 74.52 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.306 1.442 . . . . 0.0 113.814 168.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -63.83 -44.5 93.01 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 124.677 1.191 . . . . 0.0 113.713 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.91 -44.94 45.95 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 115.833 -2.032 . . . . 0.0 113.625 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.0 -41.8 97.21 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 121.909 2.14 . . . . 0.0 115.888 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -66.86 -35.5 80.16 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 m -73.93 -46.65 42.91 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 120.036 1.289 . . . . 0.0 112.001 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.58 -46.06 73.66 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.16 1.784 . . . . 0.0 113.618 169.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.8 m -69.1 -29.63 67.76 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 169.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -61.74 -48.05 82.47 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.462 -1.733 . . . . 0.0 113.58 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -71.56 -24.27 61.9 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.359 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -39.07 77.6 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 169.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.18 -44.56 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 C-N-CA 125.202 1.401 . . . . 0.0 109.4 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -56.07 -8.9 0.52 Allowed 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.29 -55.25 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.153 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.9 mmm -65.41 -41.68 93.37 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 122.405 2.366 . . . . 0.0 114.199 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 61.4 m -61.87 -26.72 68.31 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 121.004 1.729 . . . . 0.0 115.446 168.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.31 -44.83 43.38 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-O 117.109 -1.424 . . . . 0.0 111.47 168.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -57.8 -29.38 64.85 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.05 -47.95 75.53 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 117.242 -1.361 . . . . 0.0 114.235 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.81 62.15 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 m -71.58 -49.14 43.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 117.117 -1.421 . . . . 0.0 112.602 171.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.1 -48.84 72.24 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.5 m -64.79 -35.68 81.88 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 171.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.48 -15.76 62.84 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.218 -2.325 . . . . 0.0 115.422 169.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.499 2.014 0 CA-C-N 122.178 2.263 . . . . 0.0 113.804 169.402 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -63.27 -41.6 99.04 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -75.0 -43.84 51.58 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.5 mmm -71.61 -34.87 70.23 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.649 -1.644 . . . . 0.0 113.098 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -58.05 -42.52 85.59 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 116.012 -1.947 . . . . 0.0 114.24 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -39.79 91.32 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 121.273 1.852 . . . . 0.0 114.564 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.94 -43.84 70.15 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 169.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -70.4 -39.82 74.26 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.34 -42.71 99.14 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.78 -27.39 66.71 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.59 -47.0 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.567 0 CA-C-O 116.36 -1.781 . . . . 0.0 111.192 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.98 -28.8 40.02 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.56 -45.16 19.75 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 116.928 -1.51 . . . . 0.0 112.127 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 21.1 mm -57.3 -37.55 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-O 114.809 -2.52 . . . . 0.0 112.537 174.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -56.65 -28.99 61.78 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-N 122.736 2.516 . . . . 0.0 114.101 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.35 -47.08 65.43 Favored Glycine 0 CA--C 1.558 2.765 0 CA-C-O 117.619 -1.656 . . . . 0.0 112.767 167.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.06 -35.56 71.52 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.59 -54.0 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.539 1.536 . . . . 0.0 109.756 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -38.94 72.97 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -63.01 -27.61 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -78.98 -59.91 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.054 0 CA-C-O 115.389 -2.243 . . . . 0.0 106.705 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.19 10.78 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 118.895 2.924 . . . . 0.0 118.895 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.2 -47.01 21.38 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 120.059 1.299 . . . . 0.0 113.018 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.57 -37.6 84.46 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.98 -47.42 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 CA-C-O 116.184 -1.865 . . . . 0.0 110.902 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -54.36 -31.36 54.41 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.77 -48.38 54.65 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -50.19 -41.67 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.213 0 C-N-CA 125.042 1.337 . . . . 0.0 111.857 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.7 -31.62 72.85 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 115.476 -2.202 . . . . 0.0 115.569 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -75.3 -35.24 61.3 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-N 121.791 2.087 . . . . 0.0 113.243 168.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -69.56 -45.89 67.69 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.092 1.757 . . . . 0.0 115.401 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -69.89 -14.36 62.7 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 118.931 2.937 . . . . 0.0 118.931 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.2 t -90.1 -23.31 21.42 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 -30.95 17.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.932 169.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.8 mt -100.85 -38.73 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 CA-C-O 114.178 -2.82 . . . . 0.0 114.029 -167.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -31.32 0.08 Allowed 'General case' 0 N--CA 1.519 2.994 0 CA-C-N 124.262 3.21 . . . . 0.0 117.315 170.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . 0.329 . . -126.79 23.11 6.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.887 2.475 . . . . 0.0 116.557 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -24.6 77.23 0.01 OUTLIER Pre-proline 0 CA--C 1.575 1.916 0 N-CA-C 119.16 3.022 . . . . 0.0 119.16 -163.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.13 -16.13 12.53 Favored 'Trans proline' 0 C--N 1.399 3.214 0 C-N-CA 123.215 2.61 . . . . 0.0 113.429 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -155.3 -21.52 0.0 OUTLIER Pre-proline 0 CA--C 1.594 2.655 1 CA-C-O 110.678 -4.486 . . . . 0.0 117.267 -169.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -61.6 -92.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.396 3.071 1 CA-C-N 131.861 5.272 . . . . 0.0 117.583 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -140.0 179.12 6.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.778 1.631 . . . . 0.0 108.17 -168.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.53 -96.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 167.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.419 14.4 mmtt -94.12 93.14 7.64 Favored 'General case' 0 CA--C 1.571 1.785 1 CA-C-O 132.676 5.989 . . . . 0.0 105.709 168.543 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -33.96 50.0 Favored 'General case' 0 CA--C 1.583 2.248 2 CA-C-N 101.204 -7.271 . . . . 0.0 94.958 163.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -61.16 -23.22 65.39 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 112.346 -2.207 . . . . 0.0 114.453 167.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.91 -40.62 4.7 Favored 'General case' 0 CA--C 1.587 2.383 0 CA-C-N 122.664 2.484 . . . . 0.0 114.973 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.33 -23.6 21.09 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 115.706 -2.092 . . . . 0.0 116.001 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.37 -38.76 92.41 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 122.806 2.548 . . . . 0.0 115.714 -172.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.69 -21.65 63.08 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.99 -59.69 2.68 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.787 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.68 -37.24 85.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 123.057 2.662 . . . . 0.0 117.609 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.9 mtt -72.98 -43.04 62.68 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.29 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -68.07 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 168.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.74 -45.81 73.91 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.49 -42.99 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.585 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -52.12 -42.42 63.28 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 121.863 2.119 . . . . 0.0 115.637 170.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.27 -50.2 49.07 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.342 1.428 . . . . 0.0 114.463 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -66.56 -49.33 66.78 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 115.721 -2.085 . . . . 0.0 112.477 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.17 -42.97 41.59 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -69.86 -37.19 76.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 169.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -59.79 -46.94 87.64 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.3 -52.77 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 C-N-CA 125.744 1.618 . . . . 0.0 113.381 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -51.97 -38.33 56.19 Favored 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.5 m -70.25 -24.33 63.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 169.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -79.9 -26.05 40.37 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 122.073 2.215 . . . . 0.0 112.392 169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.287 84.2 mt -70.98 -43.75 67.39 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.364 2.266 . . . . 0.0 113.481 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -60.66 -46.42 90.38 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 115.391 -2.243 . . . . 0.0 112.164 168.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.1 p -51.88 -27.95 14.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm -76.59 -48.7 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 CA-C-O 115.85 -2.024 . . . . 0.0 109.937 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -62.42 -41.55 98.78 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 121.364 1.893 . . . . 0.0 114.75 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -59.79 -42.43 93.35 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 126.605 1.962 . . . . 0.0 114.442 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 t -71.01 -27.3 63.59 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 mt -71.42 -61.4 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 116.473 -1.727 . . . . 0.0 107.661 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.0 -24.1 3.45 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -83.66 -35.91 24.21 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 115.994 -1.955 . . . . 0.0 113.191 172.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.84 -4.11 57.76 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 121.147 1.794 . . . . 0.0 115.776 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.334 5.1 tt0 -77.35 -62.93 1.5 Allowed 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 126.932 2.093 . . . . 0.0 111.137 169.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -44.54 -24.05 0.61 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 120.467 2.947 . . . . 0.0 120.467 169.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.03 -12.53 4.83 Favored 'General case' 0 N--CA 1.506 2.352 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 168.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m120 71.52 83.23 0.14 Allowed 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 129.338 3.055 . . . . 0.0 109.462 -169.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -146.49 146.68 30.62 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.892 1.277 . . . . 0.0 108.323 -173.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.5 t -146.31 105.39 3.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 171.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.6 t -143.04 153.15 42.66 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.503 1.121 . . . . 0.0 110.446 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.23 -31.73 70.5 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.65 -40.49 87.86 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 169.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.55 -33.66 68.35 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.699 1.6 . . . . 0.0 115.276 169.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -90.64 -36.83 14.16 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.504 1.522 . . . . 0.0 109.56 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.26 -37.25 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.863 0 C-N-CA 126.591 1.956 . . . . 0.0 109.873 166.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -65.66 -45.63 82.19 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 125.415 1.486 . . . . 0.0 112.566 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -65.43 -30.0 70.75 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -61.53 -48.21 82.06 Favored 'General case' 0 CA--C 1.58 2.102 0 CA-C-N 120.026 1.285 . . . . 0.0 113.778 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -70.93 -37.71 72.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 116.613 -1.661 . . . . 0.0 114.482 170.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.4 -46.07 91.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.9 p -65.04 -28.18 69.31 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.7 m -77.86 -45.06 25.35 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.232 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.66 -46.42 88.26 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -72.49 -30.62 64.68 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -68.48 -41.85 79.54 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.45 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -70.19 -37.05 75.02 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 120.943 1.702 . . . . 0.0 113.416 169.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.01 -37.51 87.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 116.07 -1.919 . . . . 0.0 115.414 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.18 -43.06 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-N 121.06 1.755 . . . . 0.0 113.807 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 -32.9 35.49 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.54 -52.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 115.631 -2.128 . . . . 0.0 112.259 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.1 tpp -64.14 -43.7 94.44 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.122 2.237 . . . . 0.0 114.406 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.4 t -64.31 -27.49 69.06 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -42.09 63.89 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-O 117.218 -1.372 . . . . 0.0 112.367 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -35.65 78.46 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.75 -41.41 81.88 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.388 -1.291 . . . . 0.0 113.747 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.37 59.49 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 168.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.0 m -66.78 -46.02 76.63 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.856 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.66 -44.91 84.87 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 116.714 -1.612 . . . . 0.0 114.255 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.0 m -66.96 -39.32 87.22 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 115.754 -2.069 . . . . 0.0 115.204 169.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.81 -17.88 61.92 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.455 1.934 . . . . 0.0 116.112 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.92 -31.04 70.53 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.47 ' HA ' ' OG ' ' A' ' 145' ' ' SER . 5.3 ptm180 -138.44 1.95 2.21 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 -168.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.04 -53.25 8.63 Favored 'General case' 0 N--CA 1.51 2.526 0 C-N-CA 124.17 0.988 . . . . 0.0 108.981 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' C ' ' H ' ' A' ' 146' ' ' LYS . 28.8 ptt-85 -85.64 -52.35 5.86 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 116.805 -1.569 . . . . 0.0 108.696 167.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 142' ' ' ARG . 0.4 OUTLIER 43.07 33.82 0.58 Allowed 'General case' 0 N--CA 1.524 3.245 0 CA-C-O 126.501 3.048 . . . . 0.0 110.559 -165.417 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 144' ' ' ARG . 61.3 pttt . . . . . 0 N--CA 1.491 1.597 1 CA-C-N 106.881 -4.691 . . . . 0.0 117.824 -165.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.566 1.562 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.49 -43.91 92.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 121.451 1.932 . . . . 0.0 115.438 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -78.28 -42.86 29.69 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.1 mmt -69.88 -36.61 75.6 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 116.279 -1.82 . . . . 0.0 114.377 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -63.19 -42.27 99.32 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 115.7 -2.095 . . . . 0.0 115.006 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.51 -43.53 85.02 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-N 122.047 2.203 . . . . 0.0 114.569 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.34 -42.68 99.08 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.925 -1.988 . . . . 0.0 116.149 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -71.52 -34.18 69.86 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 121.403 1.911 . . . . 0.0 115.623 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.309 1.3 pt-20 -68.76 -44.89 72.78 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 174.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.29 -39.76 92.96 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -53.04 -45.96 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.884 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.1 -30.51 62.17 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 170.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.83 -41.74 67.82 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.426 1.09 . . . . 0.0 112.044 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.67 -49.11 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 CA-C-O 116.533 -1.699 . . . . 0.0 111.11 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.22 -29.79 70.04 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.57 50.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 116.188 1.235 . . . . 0.0 116.188 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -61.07 -40.91 95.48 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 169.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.4 -38.69 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.8 0 CA-C-O 116.567 -1.683 . . . . 0.0 110.594 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.51 -43.66 98.26 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 116.462 -1.733 . . . . 0.0 114.83 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.19 -37.28 86.63 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 121.157 1.799 . . . . 0.0 113.8 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.19 -60.84 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.232 0 CA-C-O 115.158 -2.353 . . . . 0.0 106.186 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.52 -22.3 43.45 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.34 -46.59 26.88 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 116.908 -1.52 . . . . 0.0 111.78 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -67.79 -47.1 70.07 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 120.842 1.656 . . . . 0.0 113.544 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.63 -46.22 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 0 C-N-CA 127.131 2.172 . . . . 0.0 111.243 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.11 -36.23 74.8 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.857 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.53 -40.81 80.6 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 120.389 1.449 . . . . 0.0 114.054 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 t -51.56 -42.74 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 CA-C-N 120.642 1.564 . . . . 0.0 110.859 169.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -59.56 -36.38 76.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.12 -34.75 68.81 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 119.605 1.093 . . . . 0.0 113.491 169.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.66 -46.48 53.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -36.81 78.57 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -74.62 -45.35 45.55 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.336 -1.792 . . . . 0.0 115.203 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.75 68.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.978 2.214 . . . . 0.0 116.978 169.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CG2' ' HH ' ' A' ' 141' ' ' TYR . 47.2 mt -86.54 -29.24 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.205 169.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -22.88 65.22 Favored 'General case' 0 N--CA 1.51 2.544 0 CA-C-N 123.536 2.88 . . . . 0.0 112.225 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -60.98 1.97 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 116.979 -1.486 . . . . 0.0 110.282 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -92.51 88.53 0.32 Allowed Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 116.729 -1.605 . . . . 0.0 107.193 168.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.07 -17.73 53.79 Favored 'Trans proline' 0 C--N 1.389 2.678 0 C-N-CA 124.292 3.328 . . . . 0.0 114.51 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -124.65 81.7 60.34 Favored Pre-proline 0 CA--C 1.592 2.563 0 N-CA-C 103.622 -2.733 . . . . 0.0 103.622 167.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -78.04 -79.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 124.284 3.323 . . . . 0.0 110.879 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -148.28 158.19 43.94 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 127.028 2.131 . . . . 0.0 108.705 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.62 -25.81 60.65 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -56.47 -38.34 71.55 Favored 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -72.76 -54.2 9.53 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.013 -170.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -80.03 -44.15 20.64 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-N 119.622 1.101 . . . . 0.0 112.121 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -40.2 -38.57 0.79 Allowed 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 127.063 2.145 . . . . 0.0 116.543 168.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.94 -27.34 30.64 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 115.612 -2.137 . . . . 0.0 115.14 169.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.66 -33.72 70.42 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 122.495 2.407 . . . . 0.0 116.562 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.31 -28.35 67.09 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.561 168.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.88 -53.86 13.57 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.83 -2.034 . . . . 0.0 112.251 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.64 -29.94 70.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.3 mtt -75.09 -47.27 29.56 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.894 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.22 -19.72 64.78 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.84 -48.2 22.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.26 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.3 -39.06 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.449 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.71 -47.57 76.62 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-O 116.239 -1.839 . . . . 0.0 114.583 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 120.947 1.703 . . . . 0.0 114.792 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.3 m -73.57 -61.99 1.64 Allowed 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 114.943 -2.456 . . . . 0.0 109.568 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.21 -31.65 8.96 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 123.782 2.992 . . . . 0.0 117.656 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.17 -47.75 48.47 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 117.522 -1.228 . . . . 0.0 112.459 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -54.72 -31.95 58.97 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.79 -54.87 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 127.283 2.233 . . . . 0.0 108.083 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.67 -41.71 67.16 Favored 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 m -60.79 -30.12 69.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -75.87 -37.01 59.34 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.605 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.22 -42.66 99.3 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -58.66 -37.22 75.51 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 170.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.8 m -64.0 -25.38 68.1 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.1 mp -76.49 -51.59 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 CA-C-O 116.205 -1.855 . . . . 0.0 108.59 169.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.47 -42.8 95.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 169.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 t -71.77 -23.4 61.58 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.2 mt -78.06 -62.64 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.49 -1.719 . . . . 0.0 107.318 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -46.13 -35.6 5.15 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 121.84 2.109 . . . . 0.0 116.403 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -22.07 20.85 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 117.358 2.355 . . . . 0.0 117.358 172.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.77 66.94 1.53 Allowed 'General case' 0 CA--C 1.572 1.821 0 CA-C-O 124.223 1.963 . . . . 0.0 107.323 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 107' ' ' ASN . 8.2 pt-20 -73.37 -6.26 45.01 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 112.274 -2.239 . . . . 0.0 116.507 168.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.03 16.8 58.88 Favored Glycine 0 CA--C 1.557 2.713 2 CA-C-N 106.35 -4.932 . . . . 0.0 107.559 -167.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.75 59.35 1.79 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 128.204 2.602 . . . . 0.0 112.306 169.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.415 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 7.1 t30 78.03 78.53 0.07 Allowed 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 109.138 -3.664 . . . . 0.0 109.62 -169.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -143.24 165.33 27.74 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.364 1.465 . . . . 0.0 112.118 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 t -152.71 121.16 6.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.192 1.397 . . . . 0.0 107.742 170.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.8 m -149.97 146.49 27.05 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.617 1.167 . . . . 0.0 108.906 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.9 95.7 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 -171.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -36.46 82.03 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.77 -30.44 71.45 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 125.772 1.629 . . . . 0.0 114.873 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -90.95 -33.39 15.6 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.496 1.518 . . . . 0.0 111.825 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 mt -53.0 -47.17 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.511 0 C-N-CA 126.719 2.007 . . . . 0.0 111.092 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -56.41 -44.08 79.98 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 124.897 1.279 . . . . 0.0 114.193 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -62.67 -37.6 87.07 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.788 1.635 . . . . 0.0 115.106 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.6 m -63.55 -45.46 90.4 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.236 1.414 . . . . 0.0 113.934 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.68 -38.45 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.917 -1.992 . . . . 0.0 114.745 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -63.54 -35.91 82.03 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.448 1.931 . . . . 0.0 115.861 172.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -66.95 -39.87 87.38 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -68.81 -44.72 72.94 Favored 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 120.121 1.328 . . . . 0.0 112.908 169.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 -43.51 83.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.548 1.539 . . . . 0.0 114.055 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -69.49 -28.69 66.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -67.21 -37.93 84.46 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -39.27 55.3 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.789 1.632 . . . . 0.0 113.393 169.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -60.55 -35.96 77.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 116.032 -1.937 . . . . 0.0 114.874 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.43 -44.82 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-N 121.139 1.79 . . . . 0.0 114.229 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.27 -31.03 30.74 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -98.68 -50.06 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.086 0 CA-C-O 115.828 -2.034 . . . . 0.0 112.855 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.9 -45.61 88.58 Favored 'General case' 0 N--CA 1.505 2.292 0 CA-C-N 121.886 2.13 . . . . 0.0 113.825 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.4 t -64.9 -28.92 69.87 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.27 -44.68 67.94 Favored 'General case' 0 CA--C 1.577 1.996 0 C-N-CA 125.171 1.389 . . . . 0.0 112.184 168.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -60.12 -36.25 77.05 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.31 -43.21 92.66 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-O 117.211 -1.376 . . . . 0.0 114.22 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.31 60.9 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 169.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.7 m -67.73 -46.68 71.45 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.724 -1.608 . . . . 0.0 113.57 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -66.02 -46.3 78.41 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.336 -1.792 . . . . 0.0 113.849 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 50.5 m -63.38 -31.2 72.29 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.31 -27.59 67.28 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.363 -1.779 . . . . 0.0 115.297 169.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.533 ' HH ' ' CG2' ' A' ' 61' ' ' ILE . 16.5 t80 -79.51 7.03 8.91 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 170.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -152.94 3.22 0.32 Allowed 'General case' 0 N--CA 1.52 3.051 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.25 -72.8 0.56 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 103.274 -2.861 . . . . 0.0 103.274 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -118.28 91.26 3.52 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.5 t -89.98 -25.13 21.04 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 100.748 -3.797 . . . . 0.0 100.748 163.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.366 1.299 0 CA-C-N 111.791 -2.459 . . . . 0.0 109.347 168.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.55 -37.94 80.37 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -79.39 -45.79 18.85 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.908 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -70.43 -37.17 74.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.185 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.08 -40.41 89.45 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 120.553 1.524 . . . . 0.0 113.618 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -36.88 85.08 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.184 1.356 . . . . 0.0 114.346 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -60.06 -49.21 78.53 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-O 116.466 -1.73 . . . . 0.0 114.93 169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.76 -34.34 76.63 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.71 -44.95 84.54 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 126.517 1.927 . . . . 0.0 116.073 169.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -70.25 -20.22 63.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.05 -48.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-O 116.392 -1.766 . . . . 0.0 111.614 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.76 -27.8 60.09 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.86 2.541 . . . . 0.0 117.86 173.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.73 -35.99 57.45 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 117.205 -1.379 . . . . 0.0 112.981 168.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.294 19.3 mt -60.43 -64.02 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.515 2.797 0 C-N-CA 125.223 1.409 . . . . 0.0 108.48 169.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.05 -33.64 8.34 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 171.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.11 -50.19 70.32 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-O 118.307 -1.274 . . . . 0.0 114.96 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.8 -43.21 97.0 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 116.599 -1.667 . . . . 0.0 113.513 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.3 mt -58.51 -47.47 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.754 0 C-N-CA 125.768 1.627 . . . . 0.0 110.623 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -54.71 -44.41 73.43 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -67.22 -22.4 65.71 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 116.196 -1.859 . . . . 0.0 115.987 169.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.21 -66.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 CA-C-O 115.16 -2.352 . . . . 0.0 105.879 168.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -22.13 60.65 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.71 -46.37 25.76 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 116.631 -1.652 . . . . 0.0 111.567 169.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.19 -42.54 72.27 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.301 1.864 . . . . 0.0 113.385 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.0 -46.24 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 C-N-CA 126.515 1.926 . . . . 0.0 111.096 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.88 -34.51 69.85 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-N 120.834 1.652 . . . . 0.0 114.031 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.55 -43.61 84.61 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.67 -48.97 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.832 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.439 171.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.22 -27.89 69.3 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -76.36 -35.23 58.79 Favored 'General case' 0 N--CA 1.508 2.475 0 CA-C-N 120.555 1.525 . . . . 0.0 113.325 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -76.01 -43.3 44.85 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -73.66 -47.71 37.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.56 -1.686 . . . . 0.0 115.061 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.69 -22.03 65.29 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -90.72 -35.25 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 116.439 -1.743 . . . . 0.0 108.173 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.27 -29.63 70.55 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 122.764 2.529 . . . . 0.0 111.234 166.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.81 -53.7 8.07 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 114.944 -2.455 . . . . 0.0 111.969 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.6 m -93.06 92.01 0.58 Allowed Pre-proline 0 CA--C 1.576 1.972 0 CA-C-N 122.999 2.636 . . . . 0.0 107.821 167.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.06 -12.79 36.3 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 124.726 3.618 . . . . 0.0 114.908 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -124.4 81.2 59.34 Favored Pre-proline 0 CA--C 1.588 2.433 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 168.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -87.52 -157.33 0.07 OUTLIER 'Trans proline' 0 CA--C 1.579 2.75 0 C-N-CA 123.814 3.01 . . . . 0.0 112.462 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.22 159.27 32.73 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.04 1.336 . . . . 0.0 112.338 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -53.17 -26.41 17.13 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -56.58 -39.04 72.83 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -70.77 -57.32 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 116.978 -1.487 . . . . 0.0 113.177 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -79.85 -41.35 26.5 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 117.247 -1.358 . . . . 0.0 113.872 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -44.44 -36.87 3.1 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 115.794 1.776 . . . . 0.0 115.794 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.64 -28.89 51.47 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 115.1 -2.381 . . . . 0.0 115.289 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.93 -41.79 96.9 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 122.97 2.623 . . . . 0.0 116.141 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.14 -30.17 71.38 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.68 -52.78 13.84 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.786 -2.055 . . . . 0.0 112.922 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.26 -34.63 78.8 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 mmt -71.45 -44.39 64.91 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 116.982 -1.485 . . . . 0.0 113.645 170.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -65.82 -28.16 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 169.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.17 -45.92 72.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.4 mt -68.91 -39.59 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-O 115.857 -2.02 . . . . 0.0 110.16 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.31 -49.5 75.9 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 121.619 2.009 . . . . 0.0 114.075 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.12 -43.58 70.71 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.6 1.546 . . . . 0.0 114.189 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 m -68.39 -50.24 54.39 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-O 115.719 -2.086 . . . . 0.0 112.654 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.89 69.26 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -69.8 -37.67 76.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 170.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 120.807 1.639 . . . . 0.0 114.773 169.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.36 -52.97 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.113 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -53.9 -44.49 70.54 Favored 'General case' 0 N--CA 1.515 2.776 0 CA-C-N 120.849 1.659 . . . . 0.0 114.139 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -59.4 -30.1 68.2 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -71.41 -38.93 71.39 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.008 169.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.37 -47.22 76.13 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 169.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 115.714 -2.089 . . . . 0.0 115.194 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 t -59.1 -20.7 55.82 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 169.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.09 -48.94 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.26 0 CA-C-O 116.061 -1.923 . . . . 0.0 108.005 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.4 -42.98 97.07 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 121.485 1.948 . . . . 0.0 115.494 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.62 -40.28 96.49 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m -72.52 -23.9 61.07 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.0 mt -74.68 -64.41 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 CA-C-N 121.051 1.75 . . . . 0.0 107.158 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -41.27 -30.33 0.17 Allowed 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -90.33 -35.43 15.24 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -77.04 3.61 11.97 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 172.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.251 0.4 OUTLIER -76.61 -63.93 1.23 Allowed 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 125.865 1.666 . . . . 0.0 112.598 -173.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.2 11.93 69.81 Favored Glycine 0 CA--C 1.55 2.232 0 CA-C-O 117.934 -1.481 . . . . 0.0 116.092 169.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.263 1.0 OUTLIER -76.28 -61.69 1.86 Allowed 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 116.618 -1.658 . . . . 0.0 110.212 171.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -170.72 72.41 0.06 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 121.013 1.733 . . . . 0.0 108.949 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -156.3 129.73 8.2 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.6 t -135.42 102.52 5.17 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.183 0.993 . . . . 0.0 108.394 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 p 50.41 161.22 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.317 2.247 . . . . 0.0 116.672 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 60.79 -51.17 0.1 Allowed 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 129.303 3.041 . . . . 0.0 115.399 -170.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -40.05 77.28 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 119.953 1.252 . . . . 0.0 113.015 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.425 ' HA ' HH21 ' A' ' 116' ' ' ARG . 18.1 tp -63.1 -33.03 74.57 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 125.615 1.566 . . . . 0.0 114.416 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -91.65 -43.66 9.48 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.705 1.602 . . . . 0.0 112.579 -168.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.6 mt -44.53 -47.06 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.776 0 C-N-CA 126.292 1.837 . . . . 0.0 112.237 167.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' A' ' 113' ' ' LEU . 33.9 mtm180 -67.24 -45.37 76.93 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.184 1.794 . . . . 0.0 112.218 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.42 -24.43 64.74 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 116.476 -1.726 . . . . 0.0 114.591 168.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.6 m -65.82 -52.9 46.8 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 120.885 1.675 . . . . 0.0 112.963 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.71 -38.52 67.47 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 116.661 -1.638 . . . . 0.0 114.922 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.91 -45.15 93.46 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 172.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.5 m -69.28 -34.33 74.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -72.68 -47.12 49.94 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-N 120.176 1.353 . . . . 0.0 112.124 169.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.77 -44.65 82.03 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.86 1.664 . . . . 0.0 114.241 169.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.9 m -64.71 -33.6 76.33 Favored 'General case' 0 CA--C 1.565 1.549 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.781 -1.581 . . . . 0.0 114.459 170.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -68.42 -33.74 74.76 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.922 1.237 . . . . 0.0 113.776 169.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.41 -41.45 89.5 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.1 t -73.11 -47.4 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.403 0 C-N-CA 125.509 1.523 . . . . 0.0 109.581 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.03 -11.52 0.09 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 116.89 2.182 . . . . 0.0 116.89 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.66 -53.93 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 CA-C-O 116.123 -1.894 . . . . 0.0 111.88 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.8 mmt -59.47 -41.13 89.06 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 121.643 2.019 . . . . 0.0 115.463 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.5 p -69.46 -29.83 67.59 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.62 -40.66 69.64 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.009 1.277 . . . . 0.0 111.403 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.96 -35.22 77.82 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.77 -44.09 73.35 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.672 1.589 . . . . 0.0 115.063 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.15 49.2 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 169.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.7 m -65.76 -45.57 82.05 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.871 1.669 . . . . 0.0 113.95 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -66.63 -47.8 71.47 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.195 -1.859 . . . . 0.0 113.932 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.2 t -68.1 -35.9 78.91 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.53 -12.58 61.66 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.23 -1.843 . . . . 0.0 115.072 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -75.31 -57.78 3.68 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 121.203 1.819 . . . . 0.0 110.841 168.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -85.86 -23.54 27.05 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.765 2.876 . . . . 0.0 118.765 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -82.43 -52.04 7.26 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 114.784 -2.531 . . . . 0.0 106.308 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.62 42.01 0.94 Allowed 'General case' 0 CA--C 1.583 2.224 0 CA-C-N 121.486 1.948 . . . . 0.0 112.246 167.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 t -84.36 12.36 6.88 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 162.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 18.0 pttp . . . . . 0 N--CA 1.481 1.113 1 C-N-CA 134.27 5.028 . . . . 0.0 109.74 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -35.08 76.02 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.25 -43.91 22.81 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.2 mmm -68.33 -37.44 80.55 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 116.66 -1.638 . . . . 0.0 113.229 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -59.31 -43.49 92.64 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 116.487 -1.72 . . . . 0.0 113.901 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -37.26 82.59 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.91 1.686 . . . . 0.0 113.632 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -62.44 -41.83 99.01 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 116.182 -1.866 . . . . 0.0 115.676 169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -67.22 -39.42 86.27 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.19 -41.76 76.72 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.4 -26.94 67.48 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.63 -47.86 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 CA-C-O 116.581 -1.676 . . . . 0.0 111.307 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.55 -26.87 34.68 Favored 'General case' 0 CA--C 1.58 2.131 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -71.42 -53.46 13.95 Favored 'General case' 0 CA--C 1.586 2.339 0 C-N-CA 124.85 1.26 . . . . 0.0 111.296 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.255 17.1 mm -44.25 -47.76 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.569 0 C-N-CA 127.411 2.284 . . . . 0.0 112.772 169.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -55.68 -36.62 67.33 Favored 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -51.83 55.86 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 170.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -58.32 -37.74 75.72 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 169.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.6 -50.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 125.581 1.552 . . . . 0.0 110.321 176.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.83 -41.67 74.62 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -30.88 70.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.24 -62.85 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 CA-C-O 115.512 -2.185 . . . . 0.0 107.655 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.14 19.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 118.642 2.83 . . . . 0.0 118.642 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.03 -45.27 50.71 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 116.689 -1.624 . . . . 0.0 112.399 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.84 -42.92 69.55 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 115.979 -1.962 . . . . 0.0 113.981 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.41 -47.83 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-N 121.007 1.73 . . . . 0.0 110.448 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.96 -34.34 65.61 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-N 120.535 1.516 . . . . 0.0 114.218 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.13 -38.5 82.25 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.63 -51.24 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 0 CA-C-O 116.188 -1.863 . . . . 0.0 110.718 171.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -65.75 -18.63 65.46 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -80.98 -31.92 34.57 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 120.548 1.522 . . . . 0.0 111.486 167.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -73.37 -71.17 0.33 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.982 1.313 . . . . 0.0 112.157 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -43.4 -33.93 1.16 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 119.172 3.027 . . . . 0.0 119.172 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 m -88.59 -28.79 20.47 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.386 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 -13.88 60.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 121.94 2.155 . . . . 0.0 116.185 169.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.23 -46.78 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.04 -22.56 62.82 Favored 'General case' 0 N--CA 1.515 2.778 0 CA-C-N 123.395 2.816 . . . . 0.0 113.42 165.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -44.76 12.66 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 115.092 -2.385 . . . . 0.0 111.106 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.3 m -92.42 97.86 1.84 Allowed Pre-proline 0 CA--C 1.574 1.878 0 CA-C-N 122.776 2.534 . . . . 0.0 112.102 168.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -78.88 -5.51 14.66 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.651 2.901 . . . . 0.0 110.912 166.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -118.39 80.74 16.54 Favored Pre-proline 0 CA--C 1.597 2.78 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -86.02 -171.67 0.91 Allowed 'Trans proline' 0 CA--C 1.581 2.85 0 C-N-CA 124.754 3.636 . . . . 0.0 114.665 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -123.0 132.15 54.01 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.878 1.271 . . . . 0.0 107.871 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 40.47 71.36 0.19 Allowed 'General case' 0 N--CA 1.535 3.776 0 CA-C-O 125.63 2.633 . . . . 0.0 110.12 -167.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.899 ' C ' ' H ' ' A' ' 72' ' ' LYS . 67.3 mmtt -28.32 90.82 0.0 OUTLIER 'General case' 0 CA--C 1.474 -1.962 2 CA-C-N 102.745 -6.57 . . . . 0.0 107.108 -166.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -46.92 6.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 2 CA-C-N 101.402 -7.181 . . . . 0.0 116.971 -167.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.899 ' H ' ' C ' ' A' ' 70' ' ' LYS . 24.9 mmmt -91.3 -23.47 20.12 Favored 'General case' 0 N--CA 1.48 1.031 1 CA-C-N 106.933 -4.667 . . . . 0.0 114.151 179.263 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.81 -42.83 99.51 Favored 'General case' 0 CA--C 1.578 2.031 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 168.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.76 -21.95 56.95 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 115.997 -1.954 . . . . 0.0 116.187 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.77 -34.07 77.02 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 122.352 2.342 . . . . 0.0 114.937 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -21.66 66.58 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 119.842 1.201 . . . . 0.0 114.081 168.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.08 -54.87 6.2 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-O 114.773 -2.537 . . . . 0.0 111.628 169.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -29.48 70.31 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 123.144 2.702 . . . . 0.0 117.74 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.7 mmt -69.86 -49.04 56.22 Favored 'General case' 0 N--CA 1.505 2.296 0 CA-C-O 116.978 -1.487 . . . . 0.0 112.772 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.44 -26.04 67.78 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -69.77 -42.08 74.29 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 116.122 -1.894 . . . . 0.0 115.12 171.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.5 mt -77.24 -38.11 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 CA-C-N 121.279 1.854 . . . . 0.0 109.887 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -59.66 -42.67 93.36 Favored 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 121.011 1.732 . . . . 0.0 114.74 169.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -68.19 -51.6 43.79 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.694 1.588 . . . . 0.0 113.651 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -65.14 -57.99 7.17 Favored 'General case' 0 CA--C 1.573 1.848 0 CA-C-O 115.054 -2.403 . . . . 0.0 110.862 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.63 -33.19 45.57 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 114.851 -2.499 . . . . 0.0 116.078 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -68.4 -37.1 80.03 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 122.273 2.306 . . . . 0.0 114.661 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -60.48 -34.15 73.63 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.473 1.488 . . . . 0.0 114.505 168.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.15 -60.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.681 1.592 . . . . 0.0 109.34 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -53.27 -50.44 64.83 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 126.682 1.993 . . . . 0.0 113.602 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -60.41 -23.8 64.65 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 168.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -73.9 -39.96 63.5 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 117.247 -1.359 . . . . 0.0 114.375 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HA ' ' HE2' ' A' ' 120' ' ' HIS . 65.2 mt -59.0 -45.05 91.59 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 127.269 2.228 . . . . 0.0 115.33 170.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -63.54 -28.32 69.86 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 115.441 -2.219 . . . . 0.0 116.128 169.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.9 m -69.38 -28.08 65.88 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 121.643 2.02 . . . . 0.0 115.7 168.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.2 mm -77.49 -46.77 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.542 169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -64.02 -39.52 94.28 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 120.389 1.45 . . . . 0.0 114.805 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.56 -41.28 97.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.086 -1.435 . . . . 0.0 114.583 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m -75.45 -22.91 56.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 mt -77.24 -67.74 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 170.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -41.91 -29.57 0.22 Allowed 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -87.13 -37.5 17.31 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.67 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -78.11 1.74 20.22 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 119.877 1.217 . . . . 0.0 114.224 171.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -63.03 1.26 Allowed 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 125.429 1.492 . . . . 0.0 112.702 -170.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.16 12.85 66.55 Favored Glycine 0 CA--C 1.547 2.058 0 C-N-CA 125.181 1.372 . . . . 0.0 115.604 169.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.262 1.4 tt -80.09 -65.4 1.01 Allowed 'General case' 0 CA--C 1.564 1.488 0 CA-C-O 115.818 -2.039 . . . . 0.0 109.106 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -175.35 78.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.602 2.001 . . . . 0.0 109.228 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -154.91 128.9 8.79 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.1 p -144.5 89.41 2.0 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 169.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.7 t -148.44 157.03 43.21 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.514 1.126 . . . . 0.0 111.789 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.07 -35.19 71.8 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -49.81 -44.02 48.95 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.99 -36.16 62.62 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 126.617 1.967 . . . . 0.0 114.541 168.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.0 -38.17 13.0 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.604 1.962 . . . . 0.0 110.584 -169.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.14 -48.98 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.564 0 C-N-CA 128.519 2.728 . . . . 0.0 110.635 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.03 -45.59 75.2 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 125.429 1.492 . . . . 0.0 114.359 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -62.11 -35.31 78.33 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.7 m -62.14 -49.56 75.38 Favored 'General case' 0 CA--C 1.58 2.126 0 C-N-CA 125.341 1.456 . . . . 0.0 113.666 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -78.85 -35.3 44.11 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 115.948 -1.977 . . . . 0.0 116.25 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 93' ' ' LEU . 30.9 t-80 -62.48 -45.88 91.01 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 121.647 2.022 . . . . 0.0 115.576 170.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -64.15 -39.63 94.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m -70.03 -43.39 71.39 Favored 'General case' 0 CA--C 1.58 2.113 0 CA-C-O 117.309 -1.329 . . . . 0.0 112.67 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.9 mt -57.08 -42.96 81.66 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 116.895 -1.526 . . . . 0.0 114.103 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p -63.11 -27.53 69.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 168.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -69.37 -42.08 75.67 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 116.592 -1.671 . . . . 0.0 114.813 169.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -72.07 -34.2 68.53 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 121.422 1.919 . . . . 0.0 113.387 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.04 -43.02 99.84 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 169.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.71 -43.14 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.381 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.68 -33.43 64.12 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -88.59 -53.06 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 CA-C-O 115.191 -2.338 . . . . 0.0 109.155 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.34 -43.48 77.4 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.896 2.589 . . . . 0.0 113.562 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.5 m -60.98 -27.51 68.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.795 1.634 . . . . 0.0 114.698 168.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.57 -41.72 62.56 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 125.503 1.521 . . . . 0.0 111.687 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.02 -34.56 76.44 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.74 -43.4 90.24 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 117.159 -1.401 . . . . 0.0 114.216 169.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.9 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.5 m -67.0 -49.51 65.13 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-N 120.653 1.569 . . . . 0.0 113.431 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.62 -47.04 73.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 116.138 -1.887 . . . . 0.0 113.835 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 54.7 m -66.66 -37.13 84.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 171.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.04 -16.56 63.17 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 115.944 -1.979 . . . . 0.0 114.818 168.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.15 -42.89 36.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 121.394 1.906 . . . . 0.0 114.981 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -87.8 -23.36 24.08 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 117.13 2.271 . . . . 0.0 117.13 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.57 -62.8 1.43 Allowed 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 113.213 -3.279 . . . . 0.0 102.177 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -93.43 82.69 4.46 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-O 127.094 3.331 . . . . 0.0 109.654 166.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -102.38 -32.55 9.94 Favored 'General case' 0 CA--C 1.566 1.561 2 N-CA-C 94.063 -6.273 . . . . 0.0 94.063 162.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 54.7 mttm . . . . . 0 C--N 1.375 1.695 0 CA-C-N 112.537 -2.119 . . . . 0.0 108.373 167.387 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 102.639 -3.097 . . . . 0.0 102.639 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.09 -27.86 67.69 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -66.38 -45.51 79.83 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.92 -34.94 78.88 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 117.002 -1.475 . . . . 0.0 114.016 169.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.67 -42.91 84.51 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.939 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.25 -41.76 97.45 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.67 168.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.03 -40.78 86.07 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 116.384 -1.77 . . . . 0.0 115.398 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -65.66 -44.2 87.05 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.34 -40.97 81.4 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.22 -19.07 65.72 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.73 -47.28 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 CA-C-O 116.049 -1.929 . . . . 0.0 111.823 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.87 -27.64 44.13 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.35 -49.11 52.72 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.668 1.187 . . . . 0.0 112.595 169.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.261 28.0 mt -53.84 -54.96 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.9 0 C-N-CA 126.222 1.809 . . . . 0.0 110.79 169.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -53.92 -31.4 50.05 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.77 41.89 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-O 118.313 -1.27 . . . . 0.0 114.495 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -59.76 -29.86 68.47 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 116.76 -1.591 . . . . 0.0 115.234 168.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -69.42 -53.49 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 CA-C-O 116.392 -1.766 . . . . 0.0 109.459 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -48.97 -40.81 31.91 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 169.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -64.74 -15.56 61.71 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mm -77.87 -67.78 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.219 0 CA-C-O 115.245 -2.312 . . . . 0.0 105.761 169.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.48 10.49 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.34 -46.86 38.05 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.847 -1.549 . . . . 0.0 111.923 169.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -69.9 -42.72 73.02 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 116.067 -1.921 . . . . 0.0 113.654 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 t -60.47 -46.71 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 120.872 1.669 . . . . 0.0 110.864 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.34 -34.75 66.88 Favored 'General case' 0 N--CA 1.508 2.436 0 CA-C-N 120.517 1.508 . . . . 0.0 113.895 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 25.7 tt0 -68.99 -39.18 79.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-O 117.039 -1.457 . . . . 0.0 113.431 168.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.8 t -47.63 -44.84 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.275 0 CA-C-N 120.573 1.533 . . . . 0.0 112.285 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -67.13 -35.23 79.28 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 116.168 -1.872 . . . . 0.0 115.289 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 26.9 ptt180 -74.51 -22.71 58.91 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 120.95 1.704 . . . . 0.0 113.436 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -75.41 -59.2 2.85 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 125.957 1.703 . . . . 0.0 114.219 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.22 -38.97 92.95 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -169.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 m -77.65 -38.91 46.77 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 116.041 -1.933 . . . . 0.0 115.593 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.85 67.87 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -86.03 -28.53 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 CA-C-O 115.177 -2.344 . . . . 0.0 108.121 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -73.29 -14.26 61.28 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-N 123.921 3.055 . . . . 0.0 110.022 165.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.0 -54.56 5.68 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 115.133 -2.365 . . . . 0.0 107.49 166.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -93.54 75.43 0.03 OUTLIER Pre-proline 0 CA--C 1.586 2.362 0 CA-C-N 122.774 2.533 . . . . 0.0 110.268 166.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.3 -9.12 3.14 Favored 'Trans proline' 0 C--N 1.385 2.491 0 CA-C-N 127.861 3.843 . . . . 0.0 117.856 168.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -129.55 77.66 76.82 Favored Pre-proline 0 CA--C 1.588 2.436 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -86.45 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 123.806 3.004 . . . . 0.0 112.866 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 159.39 33.17 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.958 1.303 . . . . 0.0 112.324 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.99 -24.8 25.89 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -35.69 77.5 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 169.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.8 p -70.0 -62.4 1.4 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.815 -1.564 . . . . 0.0 112.951 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -73.98 -44.67 53.94 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 120.004 1.274 . . . . 0.0 113.219 -169.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.08 -35.74 48.6 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 168.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.35 -18.36 49.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 115.249 -2.31 . . . . 0.0 115.395 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.667 2.94 . . . . 0.0 114.814 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.96 -22.55 67.02 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 116.919 -1.515 . . . . 0.0 113.241 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.78 -50.92 21.31 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 114.514 -2.66 . . . . 0.0 112.531 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.38 -41.99 94.92 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 123.278 2.763 . . . . 0.0 115.978 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.79 -42.81 73.27 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.153 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.8 p -64.43 -32.12 73.61 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 168.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.33 -46.72 85.31 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.623 1.569 . . . . 0.0 115.164 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.9 mt -74.39 -33.83 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 CA-C-O 116.239 -1.839 . . . . 0.0 110.29 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -60.44 -45.11 94.86 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 121.126 1.784 . . . . 0.0 113.977 169.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -72.58 -45.0 61.29 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 116.378 -1.772 . . . . 0.0 114.16 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 m -70.91 -48.71 52.16 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 115.273 -2.299 . . . . 0.0 112.683 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.21 89.37 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 114.617 -2.611 . . . . 0.0 114.136 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.8 -31.69 72.8 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 122.682 2.492 . . . . 0.0 115.872 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.51 -42.45 87.73 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.27 -53.76 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 C-N-CA 125.759 1.624 . . . . 0.0 114.401 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -55.04 -49.67 70.99 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.784 1.633 . . . . 0.0 113.849 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -60.12 -21.45 61.59 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -89.58 -39.44 13.27 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.321 1.3 tt -64.76 -38.75 92.04 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.337 1.855 . . . . 0.0 113.521 171.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -57.98 -41.83 83.79 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.485 1.948 . . . . 0.0 114.124 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -53.04 -26.76 16.82 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 168.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -72.13 -48.07 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.341 0 CA-C-O 116.299 -1.81 . . . . 0.0 109.108 169.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -46.5 87.98 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.2 -39.51 82.85 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t -71.91 -26.45 62.31 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 169.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.4 mt -72.12 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 CA-C-O 117.062 -1.447 . . . . 0.0 108.111 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.48 -16.9 6.67 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -90.39 -35.19 15.33 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-N 120.895 1.679 . . . . 0.0 112.899 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.46 -5.27 41.63 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 124.464 1.105 . . . . 0.0 113.53 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.252 1.2 pt-20 -74.23 -62.27 1.57 Allowed 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 125.717 1.607 . . . . 0.0 112.615 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.9 -8.72 36.15 Favored Glycine 0 CA--C 1.555 2.547 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 tp -50.56 -23.85 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 169.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 69.84 80.75 0.18 Allowed 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 129.003 2.921 . . . . 0.0 108.948 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -38.48 5.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 119.592 3.182 . . . . 0.0 119.592 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 t 25.37 71.45 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 128.719 2.808 . . . . 0.0 116.815 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.0 t -139.89 153.25 46.94 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.493 1.117 . . . . 0.0 111.856 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.85 -25.43 35.11 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -54.6 -40.46 68.89 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.0 -25.62 67.16 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -90.29 -34.15 15.85 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.75 1.62 . . . . 0.0 109.981 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.1 mt -60.85 -47.23 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.79 0 C-N-CA 127.711 2.405 . . . . 0.0 109.302 167.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -54.98 -41.25 70.96 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.104 1.762 . . . . 0.0 115.151 170.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 168.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -59.84 -44.74 93.92 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 125.478 1.511 . . . . 0.0 113.868 172.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -79.96 -40.22 28.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 115.658 -2.115 . . . . 0.0 114.437 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -63.04 -45.81 90.51 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 122.22 2.282 . . . . 0.0 115.263 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 t -70.09 -32.79 71.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 m -76.87 -44.71 30.96 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.992 -1.48 . . . . 0.0 111.912 169.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -59.94 -45.29 93.1 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.669 169.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -61.36 -26.74 68.03 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 169.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -68.88 -41.62 78.06 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -75.94 -34.54 59.86 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.515 1.507 . . . . 0.0 112.754 168.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.03 -34.91 77.1 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.61 -44.76 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.827 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.23 -30.28 62.14 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 173.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.46 -58.16 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 114.587 -2.625 . . . . 0.0 107.768 173.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.6 mmm -66.2 -41.79 89.71 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 123.548 2.886 . . . . 0.0 114.209 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.4 t -61.93 -25.49 67.61 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 120.967 1.712 . . . . 0.0 115.492 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.61 -47.3 19.7 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 116.793 -1.575 . . . . 0.0 112.213 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.44 -27.29 64.21 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 170.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -64.63 -45.73 85.59 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 117.346 -1.311 . . . . 0.0 114.45 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.85 62.75 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 116.898 -1.525 . . . . 0.0 114.461 168.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.1 m -68.16 -35.86 78.73 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 116.065 -1.922 . . . . 0.0 115.454 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -71.87 -43.81 64.81 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 116.211 -1.852 . . . . 0.0 114.396 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.4 t -74.27 -41.37 61.35 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 121.245 1.839 . . . . 0.0 113.772 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.77 2.82 4.81 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.698 -1.62 . . . . 0.0 113.536 168.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 121.429 1.922 . . . . 0.0 108.264 165.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -156.71 46.55 0.43 Allowed 'General case' 0 N--CA 1.501 2.087 1 N-CA-C 123.802 4.741 . . . . 0.0 123.802 -167.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -84.24 -9.09 58.8 Favored 'General case' 0 N--CA 1.515 2.798 0 CA-C-N 112.136 -2.302 . . . . 0.0 108.025 165.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 138.57 -28.14 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.776 1 C-N-CA 134.406 5.083 . . . . 0.0 101.933 -168.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 t 47.9 46.04 18.83 Favored 'General case' 0 N--CA 1.524 3.241 1 CA-C-O 128.604 4.049 . . . . 0.0 112.775 -168.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt . . . . . 0 CA--C 1.545 0.765 1 CA-C-N 103.373 -6.285 . . . . 0.0 118.014 -167.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.562 1.426 0 CA-C-O 117.365 -1.302 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.21 -36.52 80.12 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.53 -48.18 15.78 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 116.368 -1.777 . . . . 0.0 113.124 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.08 -15.75 61.49 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.516 1.962 . . . . 0.0 114.276 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -68.24 -40.93 81.86 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.138 1.79 . . . . 0.0 110.426 167.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.36 -35.85 76.67 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.217 167.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -58.85 -48.24 82.06 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.13 -1.89 . . . . 0.0 113.901 168.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -60.89 -32.77 72.22 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.25 9.5 mt-10 -64.11 -47.78 78.65 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 126.358 1.863 . . . . 0.0 115.428 169.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.85 -14.57 62.0 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.95 -48.45 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 116.54 -1.695 . . . . 0.0 110.296 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.46 -28.72 31.92 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 169.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.06 -47.82 64.36 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.171 -1.395 . . . . 0.0 112.618 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.264 22.2 mt -55.12 -61.86 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 CA-C-N 120.142 1.337 . . . . 0.0 109.314 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -48.77 -34.34 12.08 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.7 -48.4 84.48 Favored Glycine 0 CA--C 1.557 2.658 0 CA-C-O 118.786 -1.008 . . . . 0.0 114.471 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -63.58 -36.57 84.25 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-O 116.797 -1.573 . . . . 0.0 114.894 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.84 -46.4 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.705 0 CA-C-N 120.779 1.627 . . . . 0.0 110.915 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.13 -43.17 99.43 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -67.64 -17.29 64.55 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -80.21 -65.55 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 CA-C-O 115.378 -2.249 . . . . 0.0 105.813 169.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -26.68 15.36 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.13 -44.05 55.19 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.938 -1.506 . . . . 0.0 112.605 169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.82 -43.95 74.49 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.472 1.487 . . . . 0.0 114.05 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.31 -46.49 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 C-N-CA 126.088 1.755 . . . . 0.0 110.99 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.8 -36.26 80.58 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 116.525 -1.703 . . . . 0.0 115.099 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.27 -36.78 85.17 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 120.636 1.562 . . . . 0.0 114.939 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.76 -53.95 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.013 0 C-N-CA 125.391 1.476 . . . . 0.0 110.888 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.5 -15.75 40.84 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -49.87 18.66 Favored 'General case' 0 CA--C 1.589 2.447 0 C-N-CA 124.352 1.061 . . . . 0.0 109.433 167.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -81.85 -44.25 17.14 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.432 1.493 . . . . 0.0 114.124 -172.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -50.5 -26.62 5.36 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 119.033 2.975 . . . . 0.0 119.033 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -90.05 -12.72 37.67 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 170.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.55 -31.41 22.7 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 117.001 -1.476 . . . . 0.0 109.826 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.627 ' CG2' ' HG1' ' A' ' 71' ' ' THR . 21.2 mt -105.79 -33.77 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 114.366 -2.731 . . . . 0.0 114.772 -168.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -38.67 -32.88 0.09 Allowed 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 124.402 3.274 . . . . 0.0 116.027 169.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . 0.336 . . -140.94 36.41 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 127.95 2.5 . . . . 0.0 115.628 -172.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.579 ' HG ' ' HE2' ' A' ' 70' ' ' LYS . 24.2 m -23.43 75.56 0.01 OUTLIER Pre-proline 0 CA--C 1.595 2.703 0 N-CA-C 119.894 3.294 . . . . 0.0 119.894 -162.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -67.66 -18.94 48.32 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 123.935 3.09 . . . . 0.0 113.87 167.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -135.33 -49.75 0.02 OUTLIER Pre-proline 0 CA--C 1.585 2.3 1 CA-C-O 111.319 -4.181 . . . . 0.0 109.332 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . 0.267 31.0 Cg_endo -61.12 -165.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.406 3.558 1 CA-C-N 129.714 4.505 . . . . 0.0 116.336 -172.408 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 178.48 154.07 0.37 Allowed 'General case' 0 N--CA 1.52 3.044 0 C-N-CA 127.603 2.361 . . . . 0.0 107.429 -167.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 45.72 58.75 4.07 Favored 'General case' 1 N--CA 1.551 4.59 0 CA-C-O 125.342 2.496 . . . . 0.0 107.534 -168.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.613 ' C ' ' H ' ' A' ' 72' ' ' LYS . 12.4 tptp -28.31 82.79 0.0 OUTLIER 'General case' 0 CA--C 1.488 -1.424 1 CA-C-N 106.003 -5.09 . . . . 0.0 117.331 -163.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.627 ' HG1' ' CG2' ' A' ' 61' ' ' ILE . 2.0 p -20.48 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.368 3 CA-C-N 99.857 -7.883 . . . . 0.0 118.205 -167.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.613 ' H ' ' C ' ' A' ' 70' ' ' LYS . 30.2 mmtp -91.27 -18.81 23.76 Favored 'General case' 0 N--CA 1.472 0.674 1 CA-C-N 106.736 -4.756 . . . . 0.0 106.768 169.091 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.19 -34.32 66.12 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.19 -32.09 16.76 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 115.633 -2.127 . . . . 0.0 115.324 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.65 -34.97 79.04 Favored 'General case' 0 N--CA 1.507 2.393 0 CA-C-N 122.747 2.521 . . . . 0.0 115.086 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.07 -18.54 63.48 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 121.675 2.034 . . . . 0.0 115.339 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.45 -50.15 11.23 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 114.96 -2.448 . . . . 0.0 110.772 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.96 -37.25 29.7 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 122.886 2.585 . . . . 0.0 117.474 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.1 mtt -70.16 -45.84 65.91 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.683 2.038 . . . . 0.0 113.291 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -64.7 -20.49 66.35 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.17 -47.24 52.35 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 124.907 1.283 . . . . 0.0 113.869 169.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -65.78 -41.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.318 0 CA-C-O 116.415 -1.755 . . . . 0.0 110.465 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.54 -45.75 84.71 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 120.826 1.648 . . . . 0.0 114.394 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -65.53 -47.26 76.54 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 120.401 1.455 . . . . 0.0 114.729 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 m -70.24 -63.19 1.13 Allowed 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 115.455 -2.212 . . . . 0.0 110.07 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.36 -33.02 12.58 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.41 -43.35 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 116.332 -1.794 . . . . 0.0 113.861 169.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.74 -35.27 75.96 Favored 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 120.983 1.719 . . . . 0.0 114.939 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.09 -54.86 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 C-N-CA 125.838 1.655 . . . . 0.0 109.348 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -55.78 -43.33 76.69 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-N 120.426 1.466 . . . . 0.0 114.596 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 -30.48 71.38 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -70.23 -33.18 71.34 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.36 -46.47 73.27 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 117.169 -1.396 . . . . 0.0 114.001 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.07 -27.44 68.35 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 115.389 -2.243 . . . . 0.0 116.44 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.3 p -68.75 -31.38 70.39 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.944 2.156 . . . . 0.0 116.569 168.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.8 mm -74.36 -47.9 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 116.688 -1.625 . . . . 0.0 110.18 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.72 -44.06 97.1 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -63.12 -39.57 95.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.3 m -69.11 -20.73 64.07 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.1 mt -78.79 -65.74 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.415 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -50.83 -23.58 2.88 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.924 2.564 . . . . 0.0 117.924 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -80.89 -47.4 13.82 Favored 'General case' 0 CA--C 1.574 1.884 0 CA-C-N 120.71 1.596 . . . . 0.0 112.461 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.45 -12.29 59.94 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.344 1.4 tp10 -68.29 -63.71 1.01 Allowed 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 126.514 1.926 . . . . 0.0 112.953 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.22 -3.35 4.99 Favored Glycine 0 CA--C 1.565 3.2 0 N-CA-C 118.506 2.162 . . . . 0.0 118.506 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -35.11 74.31 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.263 40.7 p-10 99.06 90.26 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 130.717 3.607 . . . . 0.0 107.122 -170.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -126.3 161.31 28.08 Favored 'General case' 0 CA--C 1.574 1.868 0 C-N-CA 124.857 1.263 . . . . 0.0 113.883 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.4 p -147.77 89.02 1.72 Allowed 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 167.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.2 t -144.77 158.04 43.94 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 124.747 1.219 . . . . 0.0 112.13 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.46 -15.17 3.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 118.82 2.896 . . . . 0.0 118.82 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.03 -36.74 84.08 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.624 1.712 . . . . 0.0 115.624 171.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.53 -20.33 65.41 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.56 -32.76 36.55 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 126.901 2.08 . . . . 0.0 109.644 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.257 15.9 mt -65.57 -50.21 73.22 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.927 0 C-N-CA 128.063 2.545 . . . . 0.0 107.552 166.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -52.89 -44.34 66.84 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 126.26 1.824 . . . . 0.0 114.564 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -61.41 -36.08 79.3 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 125.704 1.602 . . . . 0.0 114.886 168.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -63.38 -48.88 76.06 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 125.301 1.44 . . . . 0.0 113.54 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.82 75.34 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 169.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.31 -36.75 85.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.019 -1.943 . . . . 0.0 115.057 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -70.15 -32.48 70.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.9 m -72.04 -48.66 42.83 Favored 'General case' 0 CA--C 1.582 2.204 0 CA-C-O 117.254 -1.355 . . . . 0.0 112.014 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -69.27 -41.26 77.11 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.362 -1.78 . . . . 0.0 115.435 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -56.71 -42.16 78.66 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.113 1.779 . . . . 0.0 114.872 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.75 -33.33 73.72 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 117.53 -1.224 . . . . 0.0 113.423 168.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.84 -44.24 97.23 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 169.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.52 -46.8 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 C-N-CA 125.635 1.574 . . . . 0.0 110.016 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.39 -13.43 0.57 Allowed 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -108.0 -57.06 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 116.509 -1.71 . . . . 0.0 107.403 169.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.4 tpt -58.73 -39.4 80.75 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 121.263 1.847 . . . . 0.0 115.51 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.9 p -68.28 -33.07 73.68 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 169.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -71.49 -40.74 70.0 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 116.843 -1.551 . . . . 0.0 112.917 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -64.77 -32.9 74.79 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.819 169.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -57.86 -43.45 85.94 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 120.41 1.459 . . . . 0.0 114.375 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.5 -25.73 60.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 169.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.2 m -58.7 -44.37 90.29 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 120.305 1.412 . . . . 0.0 114.404 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -69.5 -47.31 64.24 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.7 t -66.44 -48.54 69.63 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 115.418 -2.229 . . . . 0.0 114.499 170.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.49 -29.69 37.41 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.48 -3.86 16.33 Favored 'General case' 0 CA--C 1.58 2.103 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -125.85 -31.51 2.9 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.824 1.647 . . . . 0.0 113.042 -169.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.94 -59.35 2.8 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 114.86 -2.495 . . . . 0.0 105.578 167.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -98.82 73.51 2.0 Favored 'General case' 0 CA--C 1.586 2.358 0 CA-C-O 128.201 3.858 . . . . 0.0 110.662 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.1 t -107.28 -31.19 8.31 Favored 'General case' 0 CA--C 1.565 1.551 2 N-CA-C 93.68 -6.415 . . . . 0.0 93.68 162.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt . . . . . 0 C--N 1.38 1.907 0 C-N-CA 129.645 3.178 . . . . 0.0 107.281 165.857 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 116.663 -1.637 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.78 -47.2 75.96 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.378 1.899 . . . . 0.0 114.788 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -80.95 -37.54 29.28 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.402 -1.761 . . . . 0.0 114.763 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.4 mtp -69.18 -38.71 78.81 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 116.096 -1.907 . . . . 0.0 113.579 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.11 -42.27 94.36 Favored 'General case' 0 N--CA 1.505 2.285 0 CA-C-N 121.63 2.014 . . . . 0.0 114.223 169.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.21 -30.67 71.59 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.506 1.503 . . . . 0.0 114.464 168.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.63 -46.73 88.53 Favored 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 116.473 -1.727 . . . . 0.0 115.337 170.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.05 -37.47 75.55 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.39 -42.25 91.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -67.26 -27.41 67.18 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.63 -47.54 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-O 116.274 -1.822 . . . . 0.0 111.534 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -56.68 -29.91 62.85 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.6 -31.23 52.82 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.687 1.13 . . . . 0.0 113.457 168.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.257 24.1 mt -62.76 -60.9 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.744 0 C-N-CA 124.797 1.239 . . . . 0.0 108.921 169.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -45.28 -33.88 2.62 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.52 65.94 Favored Glycine 0 CA--C 1.555 2.539 0 CA-C-O 118.305 -1.275 . . . . 0.0 114.621 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.34 -38.87 91.17 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.389 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.34 -48.84 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 C-N-CA 125.671 1.588 . . . . 0.0 111.409 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.68 -44.53 85.86 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 169.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -59.8 -27.25 66.42 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -73.21 -64.02 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.253 0 CA-C-O 115.325 -2.274 . . . . 0.0 106.776 169.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.19 26.36 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.39 -47.63 47.78 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 117.167 -1.397 . . . . 0.0 112.267 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -68.92 -41.94 77.46 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 116.454 -1.736 . . . . 0.0 113.873 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.7 -47.0 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.804 -2.046 . . . . 0.0 110.76 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.41 -34.33 72.33 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 121.364 1.893 . . . . 0.0 115.432 169.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.97 -47.8 76.3 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -46.56 -48.81 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.305 0 C-N-CA 125.209 1.404 . . . . 0.0 111.592 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.8 -29.27 70.59 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.252 -1.832 . . . . 0.0 115.622 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -78.07 -34.28 50.41 Favored 'General case' 0 N--CA 1.511 2.618 0 CA-C-N 120.504 1.502 . . . . 0.0 112.728 168.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.88 -42.74 60.28 Favored 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 125.948 1.699 . . . . 0.0 115.552 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -37.33 82.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 -168.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.1 m -89.98 -17.09 28.53 Favored 'General case' 0 N--CA 1.513 2.686 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 -23.0 22.64 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.596 168.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 mt -109.5 -33.34 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 CA-C-O 114.605 -2.616 . . . . 0.0 112.659 -171.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' HZ1' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -41.96 -25.3 0.06 Allowed 'General case' 0 N--CA 1.519 2.996 0 CA-C-N 124.254 3.206 . . . . 0.0 117.389 169.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . 0.3 . . -143.58 39.99 1.41 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 127.182 2.193 . . . . 0.0 114.269 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.3 m -23.62 74.86 0.0 OUTLIER Pre-proline 0 CA--C 1.588 2.426 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -164.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -73.77 -9.46 22.51 Favored 'Trans proline' 0 C--N 1.403 3.404 0 C-N-CA 123.737 2.958 . . . . 0.0 114.865 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.29 -52.24 0.02 OUTLIER Pre-proline 0 CA--C 1.591 2.548 0 CA-C-O 112.026 -3.845 . . . . 0.0 108.673 170.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.56 -168.21 0.21 Allowed 'Trans proline' 0 C--N 1.404 3.456 1 CA-C-N 128.949 4.232 . . . . 0.0 114.549 -176.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -150.25 -172.36 4.15 Favored 'General case' 0 CA--C 1.582 2.206 0 C-N-CA 126.918 2.087 . . . . 0.0 107.64 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.39 -25.57 16.09 Favored 'General case' 0 N--CA 1.512 2.633 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -37.67 46.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 169.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 p -73.5 -44.87 56.8 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 116.083 -1.913 . . . . 0.0 114.39 169.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.26 -37.86 69.0 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 121.197 1.817 . . . . 0.0 114.112 -169.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.75 -36.4 64.77 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 169.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -75.74 -25.38 56.51 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-O 116.858 -1.544 . . . . 0.0 114.18 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.75 -32.61 71.89 Favored 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 120.98 1.718 . . . . 0.0 115.497 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.72 -22.49 66.06 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 117.521 -1.228 . . . . 0.0 114.098 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.69 -52.66 10.01 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 115.375 -2.25 . . . . 0.0 112.414 170.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -36.24 82.35 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 122.4 2.364 . . . . 0.0 116.848 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -66.49 -44.94 81.23 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.987 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -65.49 -24.68 67.21 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 168.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.54 -41.95 71.85 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.907 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.08 -39.36 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.546 0 CA-C-N 121.638 2.017 . . . . 0.0 110.505 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.72 -45.99 85.02 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-N 121.818 2.099 . . . . 0.0 114.602 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.77 -47.18 63.89 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.573 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -67.32 -49.57 63.61 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 115.791 -2.052 . . . . 0.0 112.957 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 -40.19 68.66 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 115.195 -2.336 . . . . 0.0 115.416 170.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -67.93 -34.49 76.7 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 121.33 1.877 . . . . 0.0 116.039 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -63.05 -42.75 99.78 Favored 'General case' 0 CA--C 1.582 2.179 0 CA-C-N 120.471 1.487 . . . . 0.0 114.468 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 p -79.36 -53.95 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.873 -1.537 . . . . 0.0 113.882 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.254 28.1 ptt180 -57.29 -43.89 83.57 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 120.623 1.556 . . . . 0.0 113.849 -172.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.6 m -69.88 -16.25 63.21 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -88.86 -36.99 15.68 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 120.478 1.49 . . . . 0.0 112.955 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.339 1.7 tt -62.25 -44.27 96.94 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 112.8 169.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -37.8 74.94 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 116.096 -1.906 . . . . 0.0 114.458 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 m -53.99 -28.56 38.56 Favored 'General case' 0 N--CA 1.505 2.275 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.0 mm -70.02 -46.51 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.423 0 CA-C-O 116.686 -1.626 . . . . 0.0 107.477 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -44.04 84.18 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 169.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.91 -42.86 94.8 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.0 m -67.64 -23.12 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 172.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.06 -60.32 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.41 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.038 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -49.13 -31.28 7.9 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 170.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -74.44 -9.37 58.52 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -114.45 -16.29 11.95 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 125.49 1.516 . . . . 0.0 113.411 169.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.336 23.6 tt0 -57.37 -58.33 8.75 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 128.684 2.794 . . . . 0.0 116.239 170.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.49 -22.72 25.0 Favored Glycine 0 CA--C 1.555 2.593 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.4 -4.25 10.59 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 116.318 1.969 . . . . 0.0 116.318 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 62.28 73.7 0.46 Allowed 'General case' 0 N--CA 1.508 2.45 0 C-N-CA 128.058 2.543 . . . . 0.0 111.395 -169.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -153.46 130.94 11.38 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.8 p -166.11 92.11 0.49 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.9 m -161.04 126.15 3.67 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.463 0.705 . . . . 0.0 112.241 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.438 ' H ' ' HD3' ' A' ' 114' ' ' ARG . . . 46.98 -40.54 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 1 N-CA-C 121.923 4.045 . . . . 0.0 121.923 169.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.09 -52.63 9.75 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.852 1.661 . . . . 0.0 113.905 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.64 -2.8 44.3 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.438 ' HD3' ' H ' ' A' ' 111' ' ' ALA . 56.3 mtp180 -91.07 -47.28 7.64 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 125.31 1.444 . . . . 0.0 109.336 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.27 4.4 mt -51.81 -50.05 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 126.665 1.986 . . . . 0.0 111.56 168.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.84 -42.77 98.42 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 125.159 1.384 . . . . 0.0 114.076 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -67.07 -28.02 67.84 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 m -63.02 -48.18 79.87 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.177 1.353 . . . . 0.0 113.745 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -77.59 -45.11 26.23 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 115.353 -2.26 . . . . 0.0 113.502 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -47.46 -51.55 19.87 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 122.223 2.283 . . . . 0.0 115.208 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -73.03 -31.1 64.23 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -71.72 -46.98 56.94 Favored 'General case' 0 CA--C 1.582 2.202 0 CA-C-N 120.784 1.629 . . . . 0.0 112.399 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.41 -42.8 99.31 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 170.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -62.85 -32.47 73.7 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 116.998 -1.477 . . . . 0.0 114.879 168.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -61.19 -47.86 84.2 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 116.893 -1.527 . . . . 0.0 113.375 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -64.56 -25.05 67.81 Favored 'General case' 0 CA--C 1.578 2.038 0 CA-C-N 119.912 1.233 . . . . 0.0 114.24 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.92 -43.1 93.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 169.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.05 -43.06 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 C-N-CA 125.393 1.477 . . . . 0.0 110.282 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.57 -12.61 1.85 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.53 -59.98 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 CA-C-O 115.697 -2.097 . . . . 0.0 107.251 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mmm -63.29 -37.98 89.36 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.335 2.334 . . . . 0.0 114.985 -171.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -63.06 -28.05 69.82 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.88 -45.78 26.94 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 116.6 -1.667 . . . . 0.0 112.132 169.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -61.35 -26.02 67.54 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 169.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.84 -42.95 99.67 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.358 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.01 60.88 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.1 m -69.74 -47.43 63.06 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.482 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.09 -43.03 95.81 Favored 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 120.517 1.508 . . . . 0.0 114.514 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.9 m -66.94 -28.14 68.05 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 115.893 -2.003 . . . . 0.0 114.9 168.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.49 -31.22 70.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 169.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.02 -30.94 68.39 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -133.49 -0.65 3.21 Favored 'General case' 0 N--CA 1.514 2.762 0 N-CA-C 119.058 2.984 . . . . 0.0 119.058 -169.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.33 -49.67 13.19 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.796 1.238 . . . . 0.0 109.362 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.778 ' C ' ' H ' ' A' ' 146' ' ' LYS . 56.3 ttt180 -84.83 -73.96 0.41 Allowed 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 102.359 -3.2 . . . . 0.0 102.359 167.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.47 5.04 0.03 OUTLIER 'General case' 0 N--CA 1.526 3.33 0 CA-C-O 124.931 2.301 . . . . 0.0 112.782 -165.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.778 ' H ' ' C ' ' A' ' 144' ' ' ARG . 9.9 ptpp? . . . . . 0 N--CA 1.5 2.05 0 C-N-CA 131.216 3.806 . . . . 0.0 116.612 -167.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.95 -43.57 78.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.88 -39.22 30.94 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 116.474 -1.727 . . . . 0.0 114.419 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.5 mtp -69.35 -41.86 76.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-O 116.015 -1.945 . . . . 0.0 113.049 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.05 -41.36 74.93 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 121.413 1.915 . . . . 0.0 114.938 169.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.57 -39.12 93.16 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 120.034 1.288 . . . . 0.0 113.42 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -61.01 -41.54 96.74 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 116.31 -1.805 . . . . 0.0 115.652 169.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.5 -32.62 72.71 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.327 0.5 OUTLIER -73.31 -46.41 49.67 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 125.435 1.494 . . . . 0.0 114.665 176.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.67 -38.0 85.91 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -45.93 -44.07 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -62.13 -41.62 98.43 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.558 -1.687 . . . . 0.0 114.66 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.46 -31.46 69.77 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.48 -55.13 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 CA-C-O 116.443 -1.741 . . . . 0.0 108.586 169.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -44.43 -33.98 1.88 Allowed 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.12 48.04 Favored Glycine 0 CA--C 1.554 2.469 0 C-N-CA 124.893 1.235 . . . . 0.0 113.908 168.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.93 -27.19 69.2 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 116.513 -1.708 . . . . 0.0 115.096 168.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.58 -59.48 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.69 0 CA-C-O 116.633 -1.651 . . . . 0.0 109.014 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.65 -36.77 47.51 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 170.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -63.23 -21.59 66.32 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.56 -67.59 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.225 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.67 29.15 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 118.586 2.81 . . . . 0.0 118.586 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -76.51 -45.45 30.83 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.761 -1.59 . . . . 0.0 112.059 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.68 -43.71 71.95 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.95 1.705 . . . . 0.0 113.831 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.6 -46.13 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 C-N-CA 126.163 1.785 . . . . 0.0 110.82 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.59 -33.75 68.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 120.486 1.493 . . . . 0.0 113.943 168.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -66.76 -43.42 84.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 168.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -46.89 -46.54 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.184 0 C-N-CA 125.797 1.639 . . . . 0.0 112.455 169.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.64 -31.52 70.72 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-O 115.806 -2.045 . . . . 0.0 115.636 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.97 -25.74 61.11 Favored 'General case' 0 CA--C 1.586 2.335 0 CA-C-N 121.332 1.878 . . . . 0.0 112.62 168.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.24 -65.18 1.03 Allowed 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.442 1.897 . . . . 0.0 112.529 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -48.69 -38.55 21.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.0 t -82.19 -31.28 30.45 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.03 -16.95 57.64 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 122.011 2.187 . . . . 0.0 114.839 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt -93.01 -34.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 127.548 2.339 . . . . 0.0 106.055 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.28 -30.08 70.88 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 122.383 2.356 . . . . 0.0 112.114 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.69 -53.53 7.87 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 115.273 -2.298 . . . . 0.0 111.098 168.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.7 m -93.29 76.96 0.04 OUTLIER Pre-proline 0 CA--C 1.582 2.181 0 CA-C-N 122.474 2.397 . . . . 0.0 110.608 167.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -58.53 -8.63 5.7 Favored 'Trans proline' 0 C--N 1.384 2.445 0 CA-C-N 127.319 3.65 . . . . 0.0 117.292 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.61 77.92 76.31 Favored Pre-proline 0 CA--C 1.586 2.363 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.644 ' HB2' ' HG1' ' A' ' 71' ' ' THR . 26.7 Cg_endo -89.04 -164.57 0.17 Allowed 'Trans proline' 0 C--N 1.392 2.825 0 C-N-CA 123.993 3.129 . . . . 0.0 113.242 -177.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.53 164.74 26.03 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 125.035 1.334 . . . . 0.0 112.471 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.63 -26.7 23.3 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -55.81 -38.59 70.19 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 169.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.644 ' HG1' ' HB2' ' A' ' 67' ' ' PRO . 8.5 p -75.82 -64.27 1.12 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.027 -174.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -75.06 -37.52 61.62 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 116.687 -1.625 . . . . 0.0 113.676 -169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.11 -37.41 71.92 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 120.621 1.555 . . . . 0.0 113.386 168.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.9 -13.74 59.78 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.333 -2.27 . . . . 0.0 114.954 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -48.65 66.62 Favored 'General case' 0 N--CA 1.507 2.386 0 CA-C-N 123.337 2.789 . . . . 0.0 113.928 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.86 -27.77 69.39 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -73.07 -52.8 12.97 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.336 -2.269 . . . . 0.0 112.976 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.12 -42.53 84.34 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 122.048 2.204 . . . . 0.0 115.959 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 mmt -66.14 -44.85 82.99 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 117.146 -1.406 . . . . 0.0 113.637 171.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -65.33 -25.83 67.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 168.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.18 -46.24 81.61 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 170.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 mt -69.91 -36.44 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 CA-C-O 116.27 -1.824 . . . . 0.0 110.684 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.39 -49.98 74.73 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 121.062 1.755 . . . . 0.0 113.512 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.36 -43.93 72.58 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 116.7 -1.619 . . . . 0.0 114.304 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 m -68.94 -49.92 53.84 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 115.672 -2.108 . . . . 0.0 112.907 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.58 89.7 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.147 -2.359 . . . . 0.0 114.654 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.91 -33.63 76.02 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 121.487 1.948 . . . . 0.0 115.998 170.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -61.5 -36.87 81.72 Favored 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 p -90.28 -53.72 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 125.658 1.583 . . . . 0.0 113.32 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -57.34 -42.24 81.55 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.053 1.297 . . . . 0.0 114.33 -170.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 m -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.48 -36.67 20.42 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.809 1.641 . . . . 0.0 112.307 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.31 1.3 tt -67.47 -38.56 84.6 Favored 'General case' 0 CA--C 1.583 2.234 0 C-N-CA 125.847 1.659 . . . . 0.0 112.319 169.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.9 -29.98 70.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 115.535 -2.174 . . . . 0.0 114.323 168.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -62.07 -22.29 65.66 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 121.747 2.067 . . . . 0.0 115.971 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.9 mm -77.12 -54.93 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 CA-C-O 115.879 -2.01 . . . . 0.0 108.044 169.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.61 -34.58 74.45 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-N 121.751 2.069 . . . . 0.0 116.113 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -63.11 -41.64 99.39 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.902 1.681 . . . . 0.0 114.882 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -69.65 -31.93 70.3 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.11 -54.94 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.074 0 CA-C-O 116.371 -1.776 . . . . 0.0 107.546 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.99 -19.22 51.2 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -82.57 -42.9 17.72 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 116.464 -1.731 . . . . 0.0 112.711 170.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.49 -34.93 70.58 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 116.812 -1.566 . . . . 0.0 113.974 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.317 4.1 tt0 -48.93 -55.78 10.78 Favored 'General case' 0 CA--C 1.58 2.096 0 C-N-CA 126.481 1.912 . . . . 0.0 114.928 169.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -42.57 -31.25 1.02 Allowed Glycine 0 N--CA 1.496 2.66 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 169.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.28 -11.71 16.58 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 168.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 73.58 83.53 0.12 Allowed 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 128.247 2.619 . . . . 0.0 108.934 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -145.84 142.31 28.7 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.67 1.188 . . . . 0.0 109.698 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -140.95 107.8 5.4 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.2 t -143.41 152.59 41.75 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.65 72.38 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -37.4 54.74 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.482 HD11 HH21 ' A' ' 116' ' ' ARG . 15.1 tp -63.64 -33.45 75.65 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 125.799 1.64 . . . . 0.0 114.978 169.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -90.82 -38.45 12.96 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.661 1.584 . . . . 0.0 110.192 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 47.2 mt -51.7 -37.3 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.777 0 C-N-CA 127.623 2.369 . . . . 0.0 110.158 167.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.482 HH21 HD11 ' A' ' 113' ' ' LEU . 13.8 mtm180 -61.44 -46.94 87.97 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.658 1.583 . . . . 0.0 113.025 170.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -63.54 -23.16 67.27 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -63.58 -48.88 75.6 Favored 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.854 1.262 . . . . 0.0 113.503 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -76.08 -40.26 53.48 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 116.011 -1.947 . . . . 0.0 113.974 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.76 -35.06 79.34 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 115.751 -2.071 . . . . 0.0 115.842 170.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -36.01 75.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 169.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m -71.03 -45.73 63.38 Favored 'General case' 0 CA--C 1.583 2.234 0 CA-C-N 119.923 1.238 . . . . 0.0 111.89 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -47.31 86.67 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.664 1.585 . . . . 0.0 114.759 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.4 t -67.88 -45.7 73.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 115.925 -1.988 . . . . 0.0 114.971 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -52.6 -42.22 64.37 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 121.468 1.94 . . . . 0.0 114.813 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -68.05 -33.2 74.12 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 117.448 -1.263 . . . . 0.0 113.392 168.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -40.93 97.14 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 171.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.35 -38.82 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.926 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.82 -6.9 0.6 Allowed 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 169.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.14 -54.41 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 116.685 -1.626 . . . . 0.0 112.653 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.3 mmm -62.82 -40.9 98.82 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.048 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -63.75 -25.72 68.32 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 168.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.05 -41.78 49.67 Favored 'General case' 0 CA--C 1.573 1.843 0 CA-C-O 116.557 -1.687 . . . . 0.0 111.458 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.19 -31.57 63.56 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -64.35 -45.4 87.96 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 117.661 -1.161 . . . . 0.0 114.024 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.11 -15.43 62.97 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.507 167.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 43.5 m -69.45 -41.14 76.67 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 116.18 -1.867 . . . . 0.0 114.846 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.74 -39.29 70.17 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.553 -1.689 . . . . 0.0 114.803 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.2 t -75.64 -42.05 52.55 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.01 169.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.96 -8.01 40.55 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 121.279 1.854 . . . . 0.0 113.002 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.57 -23.71 66.92 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 116.366 -1.778 . . . . 0.0 111.873 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -158.88 39.88 0.23 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 119.958 3.318 . . . . 0.0 119.958 -169.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.85 -35.04 64.73 Favored 'General case' 0 CA--C 1.603 3.019 0 CA-C-O 125.349 2.499 . . . . 0.0 105.65 165.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 179.34 -20.19 0.0 OUTLIER 'General case' 0 CA--C 1.583 2.244 1 C-N-CA 135.317 5.447 . . . . 0.0 100.253 168.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t 47.36 42.44 13.99 Favored 'General case' 0 N--CA 1.528 3.466 0 CA-C-N 125.953 3.979 . . . . 0.0 114.649 -169.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.9 pttt . . . . . 0 CA--C 1.552 1.05 1 CA-C-N 103.849 -6.068 . . . . 0.0 116.086 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.96 -41.34 91.36 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 121.421 1.919 . . . . 0.0 115.964 -175.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -78.46 -38.58 40.79 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 116.691 -1.623 . . . . 0.0 114.332 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.0 -39.14 83.28 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.073 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.28 -41.86 85.28 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-N 120.472 1.487 . . . . 0.0 114.074 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.83 -33.35 75.79 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 117.187 -1.387 . . . . 0.0 113.919 168.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.55 -45.24 87.95 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 116.213 -1.851 . . . . 0.0 115.459 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -65.32 -34.34 78.09 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 121.144 1.793 . . . . 0.0 115.794 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.73 -45.54 71.24 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 126.459 1.904 . . . . 0.0 115.884 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.59 -38.14 77.22 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.68 -44.88 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.05 -31.0 72.04 Favored 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.53 -41.94 83.55 Favored 'General case' 0 CA--C 1.587 2.371 0 C-N-CA 124.485 1.114 . . . . 0.0 113.46 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 36.8 mt -54.19 -61.17 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 C-N-CA 127.51 2.324 . . . . 0.0 110.098 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -51.07 -29.04 11.88 Favored 'General case' 0 N--CA 1.517 2.907 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.55 -51.98 38.16 Favored Glycine 0 CA--C 1.556 2.602 0 CA-C-O 118.153 -1.36 . . . . 0.0 115.11 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.23 -40.22 89.44 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.1 mt -61.94 -45.24 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.769 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.498 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -49.4 -44.78 45.46 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-N 120.233 1.379 . . . . 0.0 114.279 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -64.56 -23.89 67.42 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.88 -64.11 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.287 0 CA-C-O 115.259 -2.305 . . . . 0.0 106.624 169.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -24.33 10.21 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 119.001 2.963 . . . . 0.0 119.001 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.53 -46.08 34.23 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.862 -1.542 . . . . 0.0 112.277 169.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.18 -44.26 76.31 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 116.435 -1.745 . . . . 0.0 114.121 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.38 -47.68 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 CA-C-O 116.51 -1.71 . . . . 0.0 110.73 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.35 -35.38 67.58 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 120.628 1.558 . . . . 0.0 114.086 169.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG2' ' HE ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -68.35 -38.15 81.18 Favored 'General case' 0 CA--C 1.577 1.986 0 CA-C-O 117.115 -1.421 . . . . 0.0 113.786 168.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -49.43 -53.65 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 CA-C-O 116.74 -1.6 . . . . 0.0 109.829 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -62.83 -27.63 69.46 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HE ' ' HG2' ' A' ' 53' ' ' GLU . 35.9 ptt180 -75.32 -29.3 59.97 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-N 120.605 1.548 . . . . 0.0 112.931 168.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -79.09 -70.57 0.49 Allowed 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 124.409 1.084 . . . . 0.0 112.211 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.482 ' HE2' ' HE2' ' A' ' 79' ' ' MET . 0.3 OUTLIER -51.17 -25.83 5.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.225 3.046 . . . . 0.0 119.225 -169.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 m -90.82 -34.05 15.45 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 116.119 -1.896 . . . . 0.0 115.538 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 120.94 1.7 . . . . 0.0 114.993 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.61 -44.6 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 116.104 -1.903 . . . . 0.0 108.816 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.9 tp -54.65 -30.51 55.39 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.058 2.663 . . . . 0.0 113.011 167.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.42 40.41 Favored 'General case' 0 CA--C 1.569 1.706 0 CA-C-O 116.72 -1.609 . . . . 0.0 111.949 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 m -93.3 87.06 0.28 Allowed Pre-proline 0 CA--C 1.581 2.167 0 C-N-CA 127.27 2.228 . . . . 0.0 115.49 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -81.84 6.46 5.65 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 124.206 3.271 . . . . 0.0 112.985 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.04 -55.68 3.0 Favored Pre-proline 0 CA--C 1.593 2.609 0 CA-C-O 112.517 -3.611 . . . . 0.0 110.351 169.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -50.07 -59.45 1.2 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 CA-C-N 128.679 4.136 . . . . 0.0 114.73 169.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.306 21.0 t70 61.85 -121.76 0.74 Allowed 'General case' 0 N--CA 1.516 2.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.442 170.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.15 -25.78 9.79 Favored 'General case' 0 N--CA 1.511 2.601 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -53.56 47.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.558 169.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -96.6 -1.59 46.57 Favored 'General case' 0 CA--C 1.582 2.193 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.31 -38.44 13.37 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.328 1.851 . . . . 0.0 112.357 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.75 -34.23 1.48 Allowed 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.23 -25.83 52.03 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 117.198 -1.382 . . . . 0.0 114.139 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.08 -37.52 74.64 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 121.042 1.747 . . . . 0.0 115.553 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.36 -20.54 65.6 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 168.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.52 -57.44 3.82 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 116.592 -1.671 . . . . 0.0 111.937 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -29.65 70.85 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.482 ' HE2' ' HE2' ' A' ' 58' ' ' HIS . 41.1 mtt -71.61 -55.47 7.7 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 116.326 -1.797 . . . . 0.0 112.118 170.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 t -55.86 -25.59 42.99 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 117.574 2.435 . . . . 0.0 117.574 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.54 -46.22 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.76 -43.85 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 CA-C-O 114.999 -2.429 . . . . 0.0 110.045 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.859 ' HZ3' ' HH ' ' A' ' 134' ' ' TYR . 11.7 mptt -63.66 -37.19 86.42 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 122.818 2.553 . . . . 0.0 114.837 170.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -68.16 -46.44 70.77 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.351 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.8 m -72.4 -61.0 1.95 Allowed 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 114.901 -2.476 . . . . 0.0 109.761 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.57 24.05 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 123.688 2.949 . . . . 0.0 117.631 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -71.31 -44.08 65.83 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 117.506 -1.235 . . . . 0.0 112.291 168.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.17 -38.54 71.04 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 168.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.69 -51.75 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 C-N-CA 126.064 1.746 . . . . 0.0 110.673 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -55.94 -39.95 72.47 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -67.48 -18.33 65.02 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.29 -47.28 11.68 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 115.788 -2.053 . . . . 0.0 111.888 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.307 0.7 OUTLIER -68.61 -28.69 67.14 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 122.047 2.203 . . . . 0.0 115.613 169.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.9 -26.37 66.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.541 -2.647 . . . . 0.0 114.728 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.4 m -61.43 -24.31 66.44 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 123.189 2.722 . . . . 0.0 114.876 167.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.43 -49.87 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.133 0 C-N-CA 126.631 1.972 . . . . 0.0 109.254 169.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.63 -36.99 74.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.258 1.844 . . . . 0.0 115.662 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.4 -38.62 77.74 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 64.0 m -65.23 -43.93 89.86 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 103' ' ' GLU 0.288 8.3 mt -75.49 -21.04 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 114.141 -2.838 . . . . 0.0 109.574 173.237 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.91 -12.07 61.09 Favored 'General case' 0 CA--C 1.593 2.6 0 O-C-N 126.303 2.252 . . . . 0.0 110.536 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -83.13 -6.33 59.44 Favored 'General case' 0 CA--C 1.578 2.047 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 100' ' ' ILE 0.364 7.2 pt-20 68.5 55.45 0.5 Allowed 'General case' 0 N--CA 1.491 1.575 1 C-N-CA 132.159 4.184 . . . . 0.0 112.017 168.253 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.418 0.8 OUTLIER -93.62 -67.75 0.84 Allowed 'General case' 0 CA--C 1.56 1.337 2 CA-C-N 104.32 -5.855 . . . . 0.0 113.483 -177.797 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.53 -8.64 5.5 Favored Glycine 0 N--CA 1.481 1.646 0 CA-C-O 116.326 -2.374 . . . . 0.0 118.801 169.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.9 mt -31.85 -54.68 0.28 Allowed 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 119.899 1.85 . . . . 0.0 115.348 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 159.37 87.95 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 129.263 3.025 . . . . 0.0 103.225 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -135.82 161.25 36.12 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.8 p -47.4 153.51 0.51 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m 79.58 143.02 0.08 Allowed 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 127.347 2.259 . . . . 0.0 111.376 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.99 -32.43 63.42 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -51.87 -40.08 60.02 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 169.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.82 -22.37 66.01 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 169.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.66 -41.98 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.733 1.613 . . . . 0.0 109.642 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.5 mt -50.07 -41.24 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.509 0 C-N-CA 128.281 2.632 . . . . 0.0 111.584 168.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -59.35 -43.65 92.77 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.198 1.399 . . . . 0.0 114.099 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -63.16 -39.47 94.75 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 168.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.3 m -60.22 -44.77 94.91 Favored 'General case' 0 CA--C 1.577 1.982 0 C-N-CA 124.931 1.292 . . . . 0.0 113.991 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -77.01 -42.91 36.69 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 115.275 -2.298 . . . . 0.0 113.512 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.78 -36.34 82.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 122.782 2.537 . . . . 0.0 115.76 172.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.9 m -69.38 -39.9 77.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.8 m -69.87 -44.55 69.57 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 120.817 1.644 . . . . 0.0 113.129 169.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.97 -44.29 91.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-O 116.75 -1.595 . . . . 0.0 113.914 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.5 m -70.02 -25.68 63.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 169.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -68.68 -41.72 78.84 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.5 1.5 . . . . 0.0 114.671 170.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -73.15 -36.66 66.69 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.53 1.514 . . . . 0.0 113.296 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.1 -36.43 84.01 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.5 p -69.66 -44.61 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.721 1.6 . . . . 0.0 113.897 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.37 -29.09 47.33 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.78 -55.09 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 CA-C-O 115.542 -2.171 . . . . 0.0 108.388 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.5 tpt -62.98 -43.36 99.01 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 122.341 2.337 . . . . 0.0 114.335 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -66.37 -30.59 71.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.23 -39.2 71.83 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.036 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.859 ' HH ' ' HZ3' ' A' ' 83' ' ' LYS . 26.2 t80 -61.77 -39.94 93.42 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 169.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.04 -40.52 76.94 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 169.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.27 61.27 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 169.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.3 m -65.34 -46.91 78.38 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.597 1.544 . . . . 0.0 113.674 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.56 -46.49 47.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.463 -1.732 . . . . 0.0 113.973 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.6 m -64.66 -36.3 83.81 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.23 -32.68 69.06 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.958 -1.496 . . . . 0.0 114.547 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.49 -37.51 82.98 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 119.939 1.245 . . . . 0.0 113.772 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -81.95 -22.97 36.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.414 1.886 . . . . 0.0 115.935 174.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.27 68.06 1.51 Allowed 'General case' 0 N--CA 1.503 2.206 1 CA-C-O 131.899 5.619 . . . . 0.0 112.014 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.908 ' C ' ' H ' ' A' ' 146' ' ' LYS . 30.2 ttm180 -165.34 -84.21 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.521 4 CA-C-N 95.893 -9.685 . . . . 0.0 86.029 167.372 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.6 p 56.81 -26.73 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.477 0 CA-C-N 124.609 3.368 . . . . 0.0 114.062 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.908 ' H ' ' C ' ' A' ' 144' ' ' ARG . 41.5 mtpt . . . . . 0 N--CA 1.485 1.31 2 CA-C-N 107.441 -4.436 . . . . 0.0 108.077 168.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.38 -42.0 93.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 120.873 1.67 . . . . 0.0 115.249 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -81.54 -39.02 25.28 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.587 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mtp -71.26 -43.02 68.03 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 115.878 -2.01 . . . . 0.0 112.755 169.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -56.29 -38.64 71.49 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.737 2.062 . . . . 0.0 115.044 169.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.54 -39.83 92.18 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 116.939 -1.505 . . . . 0.0 113.183 169.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.18 -42.87 87.0 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.79 -45.79 70.37 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.33 -38.45 86.95 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 116.817 2.155 . . . . 0.0 116.817 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -70.73 -35.86 72.91 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.19 -48.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 CA-C-O 116.641 -1.647 . . . . 0.0 113.816 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -60.18 -26.7 66.54 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -43.44 64.75 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.474 169.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.271 18.8 mt -60.74 -54.36 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.861 0 C-N-CA 126.041 1.737 . . . . 0.0 110.546 171.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -53.24 -31.41 43.2 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 169.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -50.07 66.21 Favored Glycine 0 CA--C 1.553 2.407 0 CA-C-O 118.17 -1.35 . . . . 0.0 115.332 168.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.34 -43.23 99.22 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-O 116.779 -1.581 . . . . 0.0 113.358 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.67 -46.78 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 C-N-CA 125.794 1.637 . . . . 0.0 111.032 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -50.5 -46.43 57.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -70.16 -21.49 63.06 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 116.478 -1.725 . . . . 0.0 115.235 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.41 -56.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.942 0 CA-C-O 115.096 -2.383 . . . . 0.0 107.915 169.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.05 78.1 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 122.568 2.44 . . . . 0.0 116.782 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -68.01 -43.13 79.53 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.74 -1.6 . . . . 0.0 112.489 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.72 -45.16 65.43 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.021 -1.942 . . . . 0.0 113.232 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.265 0.3 OUTLIER -61.41 -47.94 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-N 120.56 1.527 . . . . 0.0 114.495 177.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -57.44 -32.91 67.37 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 124.814 1.246 . . . . 0.0 113.085 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 12.5 tt0 -66.83 -47.43 72.0 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 168.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.9 t -44.77 -48.34 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.855 0 C-N-CA 125.445 1.498 . . . . 0.0 111.953 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.85 -26.19 68.22 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.301 -2.285 . . . . 0.0 116.075 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 36.3 ptt180 -80.35 -30.29 37.98 Favored 'General case' 0 N--CA 1.509 2.479 0 CA-C-N 121.944 2.156 . . . . 0.0 113.487 169.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -77.7 -43.36 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.881 2.128 . . . . 0.0 114.287 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -51.01 -30.76 16.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 119.261 3.06 . . . . 0.0 119.261 174.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -82.0 -45.2 15.65 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 116.034 -1.936 . . . . 0.0 114.37 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.59 66.62 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 118.787 2.884 . . . . 0.0 118.787 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.269 39.9 mt -99.5 -39.26 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.36 -30.88 69.83 Favored 'General case' 0 CA--C 1.595 2.682 0 CA-C-N 122.578 2.444 . . . . 0.0 110.345 165.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.26 -40.2 62.5 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 114.723 -2.56 . . . . 0.0 112.776 167.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 p -93.09 91.18 0.49 Allowed Pre-proline 0 CA--C 1.586 2.337 0 CA-C-N 123.334 2.788 . . . . 0.0 110.74 167.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -76.28 -6.97 17.7 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 124.481 3.454 . . . . 0.0 112.0 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -119.93 80.9 26.29 Favored Pre-proline 0 CA--C 1.596 2.742 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 168.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -75.68 166.76 27.75 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 123.921 3.08 . . . . 0.0 116.031 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -111.14 128.47 55.9 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 41.85 70.38 0.28 Allowed 'General case' 0 N--CA 1.534 3.751 0 CA-C-O 124.904 2.288 . . . . 0.0 109.479 -167.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.9 ' C ' ' H ' ' A' ' 72' ' ' LYS . 38.0 mmtm -27.97 88.25 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.725 2 CA-C-N 104.07 -5.968 . . . . 0.0 108.155 -166.343 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -38.82 2.36 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.811 3 CA-C-N 101.276 -7.238 . . . . 0.0 118.521 -167.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.9 ' H ' ' C ' ' A' ' 70' ' ' LYS . 90.6 mttt -91.04 -15.97 28.69 Favored 'General case' 0 C--N 1.303 -1.454 1 CA-C-N 106.054 -5.066 . . . . 0.0 111.627 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -37.63 -43.92 0.66 Allowed 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -90.03 -25.97 20.54 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.558 -2.163 . . . . 0.0 114.41 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.16 -35.41 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 122.429 2.377 . . . . 0.0 116.088 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.18 -22.45 66.95 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 168.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.33 -56.95 4.11 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-O 115.15 -2.357 . . . . 0.0 111.799 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -31.59 72.55 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.7 mtt -72.93 -47.09 48.63 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 116.856 -1.545 . . . . 0.0 112.156 170.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -65.79 -16.8 64.13 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.24 -45.85 21.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 115.899 -2.0 . . . . 0.0 113.279 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.12 -44.94 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 121.996 2.18 . . . . 0.0 109.91 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -47.97 -52.83 18.15 Favored 'General case' 0 CA--C 1.59 2.494 0 CA-C-N 123.093 2.679 . . . . 0.0 114.024 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.87 -47.16 66.61 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 117.139 -1.41 . . . . 0.0 114.731 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -56.05 8.39 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 115.548 -2.167 . . . . 0.0 111.384 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.75 -39.4 24.8 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 121.243 1.838 . . . . 0.0 115.741 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.91 -38.38 69.93 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.387 -1.768 . . . . 0.0 115.476 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -62.96 -41.5 99.55 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.874 1.67 . . . . 0.0 114.521 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.96 -52.48 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.225 0 CA-C-O 116.206 -1.854 . . . . 0.0 113.13 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.44 -44.62 92.88 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 121.378 1.899 . . . . 0.0 114.027 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.4 m -60.13 -24.17 64.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 168.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.63 -47.86 14.72 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.245 -1.836 . . . . 0.0 113.966 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.3 -20.51 63.01 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 121.229 1.831 . . . . 0.0 114.353 169.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.276 17.2 tptm -60.2 -51.3 70.17 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-O 116.147 -1.882 . . . . 0.0 111.547 168.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -51.47 -23.28 3.8 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.43 -53.52 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 115.871 -2.014 . . . . 0.0 109.347 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.33 -33.87 75.53 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 121.539 1.972 . . . . 0.0 115.446 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -64.84 -43.62 92.43 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m -75.25 -24.16 57.59 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 117.58 2.437 . . . . 0.0 117.58 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 mt -79.96 -59.82 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.398 0 CA-C-N 120.629 1.559 . . . . 0.0 106.966 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -43.49 -26.4 0.21 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 172.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.7 -35.72 15.61 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 116.982 -1.485 . . . . 0.0 114.787 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 3.45 14.38 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -63.23 1.3 Allowed 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.214 1.405 . . . . 0.0 113.012 -171.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.32 15.36 63.0 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.136 -1.369 . . . . 0.0 115.286 169.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.285 1.5 tt -79.66 -65.91 0.94 Allowed 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 115.622 -2.133 . . . . 0.0 108.6 171.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -177.17 85.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 121.696 2.044 . . . . 0.0 108.595 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -154.28 127.58 8.47 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 172.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.6 p -140.42 86.01 2.04 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 m -152.22 153.97 34.85 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 124.414 1.086 . . . . 0.0 111.543 -169.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.74 90.56 3.68 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 125.151 2.405 . . . . 0.0 106.612 168.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -171.59 -51.89 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.499 0 C-N-CA 129.811 3.245 . . . . 0.0 103.903 -169.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -27.08 67.49 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.358 2.263 . . . . 0.0 112.539 166.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -90.05 -44.69 9.66 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 128.257 2.623 . . . . 0.0 108.417 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.26 -50.2 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.674 0 C-N-CA 127.95 2.5 . . . . 0.0 110.554 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -64.26 -39.46 93.99 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.707 1.603 . . . . 0.0 113.371 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -66.85 -33.1 74.85 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.615 167.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.5 m -58.22 -42.43 86.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -71.57 -44.82 63.81 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.649 -2.12 . . . . 0.0 113.819 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -61.07 -34.45 74.93 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 122.028 2.194 . . . . 0.0 115.924 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.9 m -69.18 -40.22 78.25 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m -69.33 -43.57 73.42 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-N 120.728 1.604 . . . . 0.0 113.088 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.78 -47.52 82.31 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 125.743 1.617 . . . . 0.0 112.761 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.8 t -63.82 -39.86 95.24 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 116.4 -1.762 . . . . 0.0 115.294 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.88 -44.15 77.85 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 120.845 1.657 . . . . 0.0 115.314 173.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -72.57 -27.53 62.25 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.402 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 169.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.2 t -77.73 -44.6 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.754 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.95 -9.68 1.45 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 169.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.7 -66.97 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 CA-C-O 116.108 -1.901 . . . . 0.0 108.107 172.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.2 mmm -63.44 -46.21 87.32 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.895 2.134 . . . . 0.0 113.37 -169.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -21.59 66.75 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 168.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.32 -45.26 40.76 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.396 168.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.99 -35.59 75.34 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 168.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -48.96 -40.56 30.89 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.946 1.298 . . . . 0.0 114.274 168.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.19 52.29 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.427 168.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.9 m -65.67 -48.99 70.25 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.046 1.748 . . . . 0.0 113.584 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -70.31 -46.52 64.1 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.144 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m -71.75 -29.59 64.67 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.84 -17.53 58.93 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 121.241 1.837 . . . . 0.0 113.145 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -68.99 -63.44 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.54 1.518 . . . . 0.0 112.338 169.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -9.87 58.89 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -135.77 74.27 1.5 Allowed 'General case' 0 N--CA 1.502 2.137 1 CA-C-O 131.662 5.506 . . . . 0.0 113.692 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.862 ' C ' ' H ' ' A' ' 146' ' ' LYS . 27.2 ttm180 -174.22 -84.07 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.283 4 CA-C-N 96.285 -9.507 . . . . 0.0 85.419 167.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p 64.56 -41.16 0.27 Allowed 'General case' 0 C--N 1.411 3.27 0 C-N-CA 128.007 2.523 . . . . 0.0 108.558 -166.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.862 ' H ' ' C ' ' A' ' 144' ' ' ARG . 43.4 mtmt . . . . . 0 N--CA 1.48 1.062 1 CA-C-N 108.373 -4.012 . . . . 0.0 107.813 167.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.566 1.583 0 CA-C-O 116.751 -1.595 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -69.45 -32.63 71.68 Favored 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -62.63 -44.26 96.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mmm -67.03 -37.83 84.82 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.771 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -55.1 -40.64 70.66 Favored 'General case' 0 N--CA 1.505 2.302 0 CA-C-O 117.312 -1.327 . . . . 0.0 114.467 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.71 -37.38 84.58 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.25 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.78 -41.11 97.31 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 116.265 -1.826 . . . . 0.0 115.588 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -68.15 -33.74 75.04 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.31 0.0 OUTLIER -72.7 -45.2 60.01 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 177.363 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.53 -39.63 85.05 Favored 'General case' 0 N--CA 1.503 2.225 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -44.92 -45.3 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.906 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.55 -41.44 97.37 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 116.422 -1.752 . . . . 0.0 114.651 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.0 -26.65 65.12 Favored 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 168.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 21.5 mt -66.7 -54.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.849 0 C-N-CA 125.311 1.444 . . . . 0.0 109.46 169.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -50.04 -34.36 21.15 Favored 'General case' 0 N--CA 1.511 2.604 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.52 58.14 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 124.928 1.252 . . . . 0.0 115.118 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.23 -33.92 76.53 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 116.374 -1.774 . . . . 0.0 114.802 168.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.73 -54.54 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 CA-C-O 116.707 -1.616 . . . . 0.0 109.558 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.81 -45.12 39.89 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.72 -17.51 35.33 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 169.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.9 mm -80.06 -66.14 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 CA-C-O 115.353 -2.26 . . . . 0.0 105.491 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.87 5.02 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.2 -43.34 34.06 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.264 -1.35 . . . . 0.0 113.231 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.88 -40.0 95.51 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.258 -1.83 . . . . 0.0 114.855 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -48.58 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 CA-C-O 116.324 -1.798 . . . . 0.0 110.243 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.75 -33.13 33.58 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 120.942 1.701 . . . . 0.0 115.297 169.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.23 -38.68 71.96 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 117.261 -1.352 . . . . 0.0 113.527 168.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.9 -41.79 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 CA-C-O 116.395 -1.764 . . . . 0.0 112.474 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -33.15 74.48 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 115.343 -2.265 . . . . 0.0 115.658 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -70.01 -28.43 65.49 Favored 'General case' 0 N--CA 1.516 2.856 0 CA-C-N 122.153 2.252 . . . . 0.0 113.795 168.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -74.1 -70.37 0.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.241 1.417 . . . . 0.0 111.617 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -49.43 -23.25 1.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 119.257 3.058 . . . . 0.0 119.257 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -90.82 -38.26 13.09 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.708 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.82 -26.33 44.21 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.253 1.842 . . . . 0.0 114.942 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.39 -42.87 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.613 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.829 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.6 -36.11 14.98 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-N 123.29 2.768 . . . . 0.0 113.396 167.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.1 45.41 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 116.43 -1.747 . . . . 0.0 112.639 167.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -93.51 85.74 0.24 Allowed Pre-proline 0 CA--C 1.58 2.129 0 C-N-CA 127.048 2.139 . . . . 0.0 116.312 173.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -81.29 -0.13 10.31 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 124.09 3.193 . . . . 0.0 112.567 168.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -68.39 -52.74 19.83 Favored Pre-proline 0 CA--C 1.589 2.48 0 CA-C-O 112.572 -3.585 . . . . 0.0 111.62 169.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 55.2 Cg_endo -51.91 -69.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.4 3.281 1 CA-C-N 128.495 4.07 . . . . 0.0 112.507 169.073 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' H ' ' HG2' ' A' ' 67' ' ' PRO . 8.4 t70 31.95 110.14 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.749 0 C-N-CA 126.82 2.048 . . . . 0.0 115.131 169.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 72.11 -10.23 0.91 Allowed 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.727 2.411 . . . . 0.0 113.663 -168.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -90.02 -59.26 2.24 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.399 1.879 . . . . 0.0 107.714 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -28.77 43.37 Favored 'General case' 0 CA--C 1.576 1.961 0 CA-C-O 116.961 -1.495 . . . . 0.0 113.714 170.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.88 -35.5 69.78 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.011 -1.947 . . . . 0.0 114.911 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.86 -33.28 35.65 Favored 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 122.5 2.409 . . . . 0.0 115.288 169.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -73.43 -23.15 60.09 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 115.98 -1.962 . . . . 0.0 114.223 168.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.5 mt -56.5 -33.26 65.83 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.11 2.232 . . . . 0.0 115.579 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.62 -28.86 69.9 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.58 -53.2 9.85 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 115.946 -1.978 . . . . 0.0 112.525 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.11 -28.53 69.5 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.1 mtt -72.01 -45.19 61.85 Favored 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 116.945 -1.502 . . . . 0.0 112.554 169.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.97 -26.41 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.63 -43.41 72.74 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 116.448 -1.739 . . . . 0.0 115.086 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.57 -39.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 CA-C-O 115.882 -2.009 . . . . 0.0 110.269 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -59.45 -43.85 93.07 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-N 121.65 2.023 . . . . 0.0 114.504 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.38 -47.4 67.47 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.446 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.7 m -69.06 -50.05 51.94 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.785 175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.04 -41.8 68.47 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 115.313 -2.279 . . . . 0.0 115.245 172.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -69.01 -36.37 77.7 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 121.164 1.802 . . . . 0.0 115.755 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -35.16 75.24 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.12 -52.95 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 125.882 1.673 . . . . 0.0 114.078 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -59.15 -43.11 92.03 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.975 1.31 . . . . 0.0 114.077 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.0 m -66.62 -22.89 66.11 Favored 'General case' 0 CA--C 1.563 1.469 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -88.05 -32.59 18.69 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.471 1.487 . . . . 0.0 113.065 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.305 0.9 OUTLIER -68.81 -44.1 74.23 Favored 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 125.493 1.517 . . . . 0.0 112.922 169.777 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -33.86 60.45 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 116.504 -1.712 . . . . 0.0 114.671 169.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.5 t -56.19 -26.32 50.37 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 168.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.33 -49.93 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.257 0 CA-C-O 116.328 -1.796 . . . . 0.0 107.462 168.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.96 -42.34 68.82 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 169.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -58.41 -40.25 81.96 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.5 m -65.76 -28.75 69.26 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 118.013 2.598 . . . . 0.0 118.013 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.6 mt -80.01 -60.09 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 -175.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.07 -24.91 1.78 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -80.21 -39.28 29.45 Favored 'General case' 0 CA--C 1.571 1.756 0 CA-C-N 120.724 1.602 . . . . 0.0 113.625 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.65 -6.45 59.38 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.313 23.1 tt0 -76.53 -62.47 1.61 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 127.971 2.508 . . . . 0.0 113.002 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.57 -13.89 33.02 Favored Glycine 0 CA--C 1.563 3.079 0 N-CA-C 118.25 2.06 . . . . 0.0 118.25 169.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.5 tp -47.87 -28.15 2.48 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 71.56 78.93 0.16 Allowed 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 128.025 2.53 . . . . 0.0 108.159 -168.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 156.6 35.28 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 124.173 0.989 . . . . 0.0 111.411 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.8 m -137.46 94.77 2.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.4 t -144.92 149.72 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.202 1.001 . . . . 0.0 111.533 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.67 -31.85 8.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.917 -1.516 . . . . 0.0 115.03 169.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.39 -38.43 63.37 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 169.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.61 -30.97 63.84 Favored 'General case' 0 N--CA 1.507 2.416 0 C-N-CA 125.942 1.697 . . . . 0.0 114.885 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.2 -36.04 15.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.094 1.758 . . . . 0.0 109.715 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.13 -43.87 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.515 0 C-N-CA 127.403 2.281 . . . . 0.0 110.514 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -58.07 -41.28 83.03 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.769 1.228 . . . . 0.0 114.092 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -33.34 62.9 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 171.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.5 m -49.5 -41.01 39.67 Favored 'General case' 0 CA--C 1.586 2.33 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -79.46 -41.61 27.16 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.159 -1.877 . . . . 0.0 114.029 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -56.31 -47.14 79.29 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 121.816 2.098 . . . . 0.0 115.574 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.5 m -68.98 -30.17 68.53 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.3 m -73.68 -50.27 21.73 Favored 'General case' 0 CA--C 1.583 2.236 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.428 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.7 -40.53 95.53 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.972 -1.966 . . . . 0.0 115.311 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -66.57 -43.03 86.11 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 116.338 -1.792 . . . . 0.0 115.115 171.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -53.11 -43.68 67.04 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.826 1.648 . . . . 0.0 114.129 169.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -70.31 -29.38 66.09 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.635 -1.174 . . . . 0.0 113.925 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.54 -37.18 85.98 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.34 -45.09 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 125.509 1.523 . . . . 0.0 109.949 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -55.2 -11.0 0.63 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -106.91 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 CA-C-O 115.994 -1.955 . . . . 0.0 106.764 170.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 32.3 mmt -55.0 -38.06 67.39 Favored 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 122.162 2.255 . . . . 0.0 115.793 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -68.27 -32.16 72.12 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 169.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.63 -47.79 62.21 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 125.168 1.387 . . . . 0.0 112.527 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -55.38 -29.3 58.19 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.67 -47.94 68.06 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 117.234 -1.365 . . . . 0.0 114.107 169.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.78 -14.67 63.18 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 168.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.6 m -71.43 -49.58 40.26 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.669 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.25 -42.88 65.12 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 116.555 -1.688 . . . . 0.0 114.286 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.7 m -65.07 -39.8 93.76 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.2 -25.16 66.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 120.612 1.551 . . . . 0.0 115.018 169.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -71.5 -48.46 48.84 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 117.079 -1.439 . . . . 0.0 113.72 169.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -66.62 -32.99 74.67 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 127.353 2.261 . . . . 0.0 116.508 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . 0.25 40.9 mt-10 -93.98 -48.63 6.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 112.24 -3.743 . . . . 0.0 103.928 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . 0.302 47.3 ttt180 -102.27 78.13 1.72 Allowed 'General case' 0 CA--C 1.591 2.552 1 CA-C-O 128.72 4.105 . . . . 0.0 107.007 162.063 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -107.6 -37.83 6.06 Favored 'General case' 0 CA--C 1.563 1.473 2 N-CA-C 89.329 -8.026 . . . . 0.0 89.329 162.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.6 mttp . . . . . 0 C--N 1.387 2.202 0 CA-C-O 123.475 1.607 . . . . 0.0 107.735 164.513 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 116.447 -1.74 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -64.49 -43.44 94.13 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 115.937 1.828 . . . . 0.0 115.937 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.39 -43.46 50.02 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.6 mmm -72.04 -38.76 69.47 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 116.577 -1.678 . . . . 0.0 112.605 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.58 -39.03 75.83 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 115.843 -2.027 . . . . 0.0 115.121 169.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.9 -40.79 83.42 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 121.599 2.0 . . . . 0.0 114.353 168.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.29 -47.9 80.29 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 170.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -70.95 -43.17 68.71 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 116.369 -1.777 . . . . 0.0 114.809 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.92 -41.1 78.63 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -45.41 -41.52 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 171.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.65 -37.82 87.89 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.56 -27.0 60.32 Favored 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 168.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.29 25.5 mt -63.14 -59.01 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 C-N-CA 126.725 2.01 . . . . 0.0 109.215 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -46.53 -31.33 2.7 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 122.041 2.2 . . . . 0.0 116.818 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.66 33.46 Favored Glycine 0 CA--C 1.552 2.386 0 CA-C-O 117.905 -1.497 . . . . 0.0 115.361 168.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -60.99 -33.57 73.44 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.422 -1.752 . . . . 0.0 115.293 169.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.9 -52.74 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.677 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.852 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -47.59 -41.25 21.24 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 169.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -64.57 -23.64 67.33 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -68.74 -53.51 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.952 0 CA-C-O 115.355 -2.259 . . . . 0.0 109.006 169.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.52 82.78 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.013 2.188 . . . . 0.0 116.144 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.77 -44.49 81.23 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 116.706 -1.616 . . . . 0.0 113.056 169.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.88 -42.28 77.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 116.422 -1.751 . . . . 0.0 114.242 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.253 0.9 OUTLIER -63.84 -48.68 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 CA-C-N 120.245 1.384 . . . . 0.0 113.967 179.019 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.14 -33.73 69.49 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.487 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.87 -45.55 85.57 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -50.85 -44.96 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.953 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.261 168.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -60.15 -32.91 71.48 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.66 -35.54 62.82 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 120.074 1.306 . . . . 0.0 113.29 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.82 -40.21 33.5 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -35.53 81.0 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 -174.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -76.27 -48.43 20.22 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 116.449 -1.738 . . . . 0.0 115.17 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 169.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.9 mt -81.24 -31.74 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.159 0 CA-C-O 116.066 -1.921 . . . . 0.0 108.832 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 tp -66.33 -21.61 66.26 Favored 'General case' 0 CA--C 1.589 2.444 0 CA-C-N 123.033 2.652 . . . . 0.0 111.516 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.94 2.13 Favored 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 115.129 -2.367 . . . . 0.0 109.5 168.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 m -92.79 93.87 0.79 Allowed Pre-proline 0 CA--C 1.571 1.764 0 CA-C-N 122.885 2.584 . . . . 0.0 107.77 167.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -77.49 -7.91 17.0 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.817 3.012 . . . . 0.0 111.496 167.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -116.17 81.87 10.85 Favored Pre-proline 0 CA--C 1.595 2.674 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -105.62 -146.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.588 3.219 0 C-N-CA 123.989 3.126 . . . . 0.0 112.189 -171.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -79.36 151.14 31.16 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 124.836 1.254 . . . . 0.0 110.018 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -53.55 -27.63 27.19 Favored 'General case' 0 N--CA 1.513 2.684 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -58.64 -37.87 76.89 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -75.13 -50.69 15.52 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.97 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -84.01 -38.73 20.55 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.703 1.592 . . . . 0.0 114.541 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -55.45 -31.37 61.89 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 169.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.85 -28.92 62.81 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 115.383 -2.246 . . . . 0.0 115.226 169.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.18 -39.87 95.89 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 122.784 2.538 . . . . 0.0 115.343 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.86 -25.99 67.87 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 116.905 -1.522 . . . . 0.0 113.954 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -70.94 -51.52 25.36 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-O 115.035 -2.412 . . . . 0.0 112.633 170.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.75 -36.98 85.1 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.443 2.383 . . . . 0.0 117.306 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.2 mtt -72.13 -43.53 64.55 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 116.956 -1.497 . . . . 0.0 113.306 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -66.12 -20.43 66.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.32 -49.52 22.59 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 117.24 -1.362 . . . . 0.0 114.019 169.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.74 -39.78 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.369 0 CA-C-O 116.444 -1.741 . . . . 0.0 110.085 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -57.64 -52.64 64.59 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 121.041 1.746 . . . . 0.0 113.795 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -69.9 -43.16 72.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 116.63 -1.652 . . . . 0.0 114.624 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.5 m -70.54 -60.39 2.29 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 114.232 -2.794 . . . . 0.0 110.311 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -36.5 45.59 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 123.082 2.674 . . . . 0.0 115.666 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -69.0 -39.71 79.18 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 116.28 -1.819 . . . . 0.0 115.375 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.24 -39.49 69.8 Favored 'General case' 0 CA--C 1.588 2.437 0 CA-C-N 121.446 1.93 . . . . 0.0 114.865 169.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . 0.255 11.7 p -90.41 -53.18 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.323 0 C-N-CA 126.78 2.032 . . . . 0.0 113.509 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.25 16.0 ptt180 -58.28 -46.51 85.92 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 120.621 1.555 . . . . 0.0 112.571 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 t -60.21 -18.99 52.23 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 167.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -73.05 -35.29 66.68 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 124.053 0.941 . . . . 0.0 110.612 168.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.62 -38.11 83.66 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.692 167.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -55.73 -29.26 59.22 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 115.634 -2.127 . . . . 0.0 116.309 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -69.3 -23.58 63.83 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 120.809 1.64 . . . . 0.0 114.662 167.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.7 mm -81.05 -49.7 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 C-N-CA 126.714 2.006 . . . . 0.0 109.695 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.92 -38.59 73.06 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.72 -38.19 72.0 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 t -72.16 -32.13 66.57 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 103' ' ' GLU 0.252 4.0 mt -90.37 -24.66 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 114.345 -2.741 . . . . 0.0 109.867 178.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.86 -9.11 57.86 Favored 'General case' 0 CA--C 1.591 2.533 0 O-C-N 126.729 2.518 . . . . 0.0 110.849 165.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -70.9 -29.84 66.02 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 163.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 100' ' ' ILE 0.459 6.4 tp10 68.34 82.62 0.17 Allowed 'General case' 0 N--CA 1.489 1.498 2 C-N-CA 132.519 4.328 . . . . 0.0 102.99 168.883 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.4 7.4 pt-20 -91.12 -39.44 12.15 Favored 'General case' 0 CA--C 1.552 1.024 1 CA-C-N 96.122 -9.581 . . . . 0.0 107.084 -169.752 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -72.67 4.98 18.8 Favored Glycine 1 CA--C 1.588 4.602 0 CA-C-N 111.613 -2.54 . . . . 0.0 112.216 164.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 tp -33.81 -33.92 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.615 0 C-N-CA 129.12 2.968 . . . . 0.0 117.675 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 109.33 85.4 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 131.431 3.892 . . . . 0.0 103.97 -169.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -134.29 -2.36 2.81 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -171.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.9 m 56.73 81.73 0.13 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 129.736 3.214 . . . . 0.0 113.59 174.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -155.87 153.99 30.57 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.797 1.239 . . . . 0.0 111.141 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.581 ' C ' ' H ' ' A' ' 113' ' ' LEU . . . -100.28 -163.84 1.06 Allowed 'General case' 0 CA--C 1.585 2.298 0 N-CA-C 100.93 -3.73 . . . . 0.0 100.93 166.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.76 -37.51 0.3 Allowed 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 128.883 2.873 . . . . 0.0 114.732 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.581 ' H ' ' C ' ' A' ' 111' ' ' ALA . 8.7 tt -66.82 -34.89 78.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 129.048 2.939 . . . . 0.0 113.341 168.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -87.68 -32.23 19.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.208 1.803 . . . . 0.0 110.051 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.254 22.3 mt -57.8 -48.89 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 C-N-CA 127.951 2.5 . . . . 0.0 109.845 167.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.72 -44.8 86.2 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 125.606 1.562 . . . . 0.0 113.971 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.12 -34.35 76.18 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 125.594 1.558 . . . . 0.0 115.061 168.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -62.09 -47.05 86.37 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 124.861 1.264 . . . . 0.0 113.842 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -83.32 -36.41 24.46 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 115.401 -2.237 . . . . 0.0 115.68 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.09 -37.09 76.31 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 122.737 2.517 . . . . 0.0 116.26 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.1 m -70.75 -40.12 72.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 116.025 -1.941 . . . . 0.0 115.919 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.7 m -69.0 -43.06 75.62 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 121.253 1.842 . . . . 0.0 113.027 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.19 -52.39 65.77 Favored 'General case' 0 CA--C 1.581 2.151 0 C-N-CA 125.611 1.564 . . . . 0.0 112.704 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -61.05 -40.54 94.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.254 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -53.51 -43.33 68.2 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 125.646 1.578 . . . . 0.0 113.965 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -60.34 -34.61 74.08 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.554 169.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -69.25 -37.43 77.93 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 116.095 -1.907 . . . . 0.0 115.828 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.69 -37.12 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 121.684 2.038 . . . . 0.0 111.496 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.39 -5.9 2.85 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.4 t -131.77 -43.9 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 114.921 -2.466 . . . . 0.0 111.239 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -46.34 75.41 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 123.627 2.922 . . . . 0.0 114.048 173.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 t -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.512 2.042 . . . . 0.0 116.512 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.98 -47.3 25.53 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.793 1.637 . . . . 0.0 111.963 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -57.08 -30.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -51.52 -38.18 52.88 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 117.51 -1.233 . . . . 0.0 114.147 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.42 76.71 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 91.3 m -73.82 -56.77 4.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.363 1.438 . . . . 0.0 112.018 174.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -59.9 -35.46 74.91 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.2 t -74.89 -47.3 30.73 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 114.739 -2.553 . . . . 0.0 112.392 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.61 -17.23 7.94 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 122.557 2.435 . . . . 0.0 117.106 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.66 -37.55 73.71 Favored 'General case' 0 CA--C 1.579 2.073 0 CA-C-N 121.528 1.967 . . . . 0.0 114.412 168.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.93 7.97 6.17 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.333 3.086 . . . . 0.0 119.333 -167.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.59 -57.35 2.9 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 125.523 1.529 . . . . 0.0 108.44 172.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . 0.253 25.1 ttp180 -70.89 -53.19 16.01 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 129.122 2.969 . . . . 0.0 109.147 168.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.4 p 43.23 43.26 3.93 Favored 'General case' 0 N--CA 1.52 3.036 0 CA-C-O 128.169 3.843 . . . . 0.0 113.509 -167.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.498 1 CA-C-N 104.978 -5.555 . . . . 0.0 113.181 -168.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 116.533 -1.698 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -67.3 -44.79 78.37 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.221 1.828 . . . . 0.0 115.218 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.81 -39.75 26.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 116.615 -1.66 . . . . 0.0 114.37 -175.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.2 mtp -67.89 -38.93 83.61 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-O 116.269 -1.824 . . . . 0.0 113.441 169.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.78 -44.46 86.24 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 121.171 1.805 . . . . 0.0 114.332 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.03 -35.24 78.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 120.284 1.402 . . . . 0.0 113.868 169.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.88 -39.76 94.94 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 116.303 -1.808 . . . . 0.0 115.511 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -64.94 -42.7 94.43 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.958 1.708 . . . . 0.0 115.596 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.5 -42.86 82.18 Favored 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 126.499 1.92 . . . . 0.0 116.113 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.8 -34.71 72.03 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.18 -45.61 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.837 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.569 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.45 -24.89 58.36 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.06 -43.94 50.47 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 124.415 1.086 . . . . 0.0 111.515 169.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.262 22.6 mt -57.5 -59.27 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 125.713 1.605 . . . . 0.0 109.769 172.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -44.49 -34.41 2.07 Favored 'General case' 0 N--CA 1.51 2.531 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.78 -50.4 68.11 Favored Glycine 0 CA--C 1.555 2.59 0 CA-C-O 118.509 -1.162 . . . . 0.0 114.203 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.97 -33.96 77.28 Favored 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 116.789 -1.577 . . . . 0.0 114.971 168.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.81 -54.66 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.045 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -37.47 71.88 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 172.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -64.62 -34.91 79.37 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.982 -1.961 . . . . 0.0 115.648 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.31 -60.92 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.127 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.35 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.0 63.89 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 123.224 2.738 . . . . 0.0 118.13 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.77 -47.58 25.3 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.909 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -67.3 -42.8 83.13 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 116.903 -1.523 . . . . 0.0 114.054 174.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.39 -47.25 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 115.872 -2.013 . . . . 0.0 110.322 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.12 -34.89 68.82 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-N 121.473 1.942 . . . . 0.0 114.826 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -69.67 -31.89 70.21 Favored 'General case' 0 CA--C 1.584 2.261 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.158 168.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.69 -53.44 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.114 0 CA-C-O 116.022 -1.942 . . . . 0.0 110.091 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -62.0 -23.02 66.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -77.12 -37.24 54.51 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 120.446 1.475 . . . . 0.0 112.312 168.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -68.13 -56.14 9.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -49.68 -21.92 1.19 Allowed 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 119.011 2.967 . . . . 0.0 119.011 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.2 m -88.01 -48.91 7.4 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 116.484 -1.722 . . . . 0.0 113.614 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.21 65.04 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.256 35.8 mt -86.1 -32.69 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 CA-C-O 116.679 -1.629 . . . . 0.0 107.892 175.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.06 -29.5 68.59 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 122.179 2.263 . . . . 0.0 110.331 165.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -51.2 13.15 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-O 114.988 -2.434 . . . . 0.0 112.228 168.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.3 m -93.25 91.46 0.54 Allowed Pre-proline 0 CA--C 1.575 1.928 0 CA-C-N 122.958 2.617 . . . . 0.0 109.97 167.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -73.46 -12.15 24.82 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 124.315 3.343 . . . . 0.0 112.931 168.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -120.26 80.04 28.06 Favored Pre-proline 0 CA--C 1.588 2.414 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 169.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -95.05 -163.71 0.09 OUTLIER 'Trans proline' 0 CA--C 1.581 2.848 0 C-N-CA 123.692 2.928 . . . . 0.0 113.513 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.26 159.08 27.42 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.608 1.163 . . . . 0.0 111.534 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.57 -24.75 8.82 Favored 'General case' 0 N--CA 1.513 2.719 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 171.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -56.05 -35.29 66.74 Favored 'General case' 0 CA--C 1.579 2.065 0 N-CA-C 115.456 1.651 . . . . 0.0 115.456 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.6 p -75.93 -62.9 1.44 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.731 -1.604 . . . . 0.0 111.624 -171.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.29 -37.69 52.25 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 116.616 -1.659 . . . . 0.0 114.049 -169.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.6 -37.13 26.5 Favored 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 121.078 1.763 . . . . 0.0 115.437 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.42 -29.4 59.72 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.814 -2.041 . . . . 0.0 114.919 169.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.61 -41.22 98.33 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-N 121.731 2.06 . . . . 0.0 115.007 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.41 -22.36 63.69 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.589 -1.672 . . . . 0.0 113.655 168.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.29 -57.63 3.77 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.435 -2.222 . . . . 0.0 111.828 170.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.42 -30.0 70.91 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtt -73.81 -55.56 6.07 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 116.578 -1.677 . . . . 0.0 110.674 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -54.15 -30.06 47.78 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 169.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.16 -39.83 78.54 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.625 -1.655 . . . . 0.0 114.739 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.13 -41.51 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 CA-C-O 113.885 -2.959 . . . . 0.0 109.934 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -45.08 92.35 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 125.073 3.578 . . . . 0.0 114.04 169.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -71.41 -43.95 65.82 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 116.725 -1.607 . . . . 0.0 114.669 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.6 m -71.17 -54.74 9.97 Favored 'General case' 0 CA--C 1.576 1.95 0 CA-C-O 114.824 -2.512 . . . . 0.0 111.12 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.24 -40.49 34.16 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-N 122.324 2.329 . . . . 0.0 115.455 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -71.28 -42.85 68.21 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.138 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -55.09 -35.21 64.36 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 169.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.13 -53.01 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 C-N-CA 126.004 1.722 . . . . 0.0 112.993 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -59.9 -45.08 93.66 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-N 120.596 1.544 . . . . 0.0 113.909 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -65.41 -24.22 67.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -81.99 -39.13 24.05 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.54 1.518 . . . . 0.0 112.622 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.352 0.8 OUTLIER -62.91 -48.89 76.98 Favored 'General case' 0 CA--C 1.589 2.456 0 C-N-CA 125.442 1.497 . . . . 0.0 111.719 169.327 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.264 20.8 tptm -54.41 -35.53 63.0 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.387 -1.446 . . . . 0.0 113.004 167.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -63.39 -20.45 65.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.83 -60.61 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 115.778 -2.058 . . . . 0.0 107.491 168.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.76 0.5 23.42 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -82.81 -25.23 32.9 Favored 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 164.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.676 ' C ' ' H ' ' A' ' 101' ' ' GLU . 70.7 m -122.05 32.64 5.75 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 120.784 3.624 . . . . 0.0 120.784 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.361 56.9 mt -91.15 82.29 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.985 1 N-CA-C 88.382 -8.377 . . . . 0.0 88.382 162.847 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.676 ' H ' ' C ' ' A' ' 99' ' ' SER . 5.3 tp10 -24.81 86.73 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 2 CA-C-N 104.04 -5.982 . . . . 0.0 109.337 -158.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . 0.312 3.9 tm0? -21.17 73.41 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 2 CA-C-O 130.877 5.132 . . . . 0.0 114.579 -158.488 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.1 -39.15 2.26 Favored 'General case' 0 CA--C 1.554 1.115 3 CA-C-N 95.944 -9.662 . . . . 0.0 103.864 -169.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -47.64 -52.57 17.6 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 117.068 2.247 . . . . 0.0 117.068 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.38 25.28 13.18 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.746 1.858 . . . . 0.0 117.746 169.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.55 1.03 8.88 Favored 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 126.381 1.872 . . . . 0.0 114.137 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 80.03 90.68 0.05 Allowed 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 128.785 2.834 . . . . 0.0 108.073 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -144.04 150.52 38.34 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.269 1.028 . . . . 0.0 111.027 -172.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.8 t -156.79 111.87 2.84 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 p -156.38 130.79 8.76 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.633 1.173 . . . . 0.0 108.974 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.11 -44.09 31.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 -176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -38.31 90.57 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.46 -29.78 70.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.215 1.406 . . . . 0.0 114.186 169.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -90.01 -38.31 13.71 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.632 1.573 . . . . 0.0 110.065 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.269 49.7 mt -51.18 -47.84 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 C-N-CA 127.645 2.378 . . . . 0.0 110.406 167.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -58.25 -42.76 87.12 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 125.289 1.435 . . . . 0.0 114.684 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.42 -30.64 71.05 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.6 m -63.56 -46.54 85.45 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.249 1.42 . . . . 0.0 113.652 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -71.83 -40.78 68.86 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 116.534 -1.698 . . . . 0.0 114.004 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -60.67 -47.9 84.19 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 120.712 1.596 . . . . 0.0 115.135 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.1 t -69.92 -34.1 73.04 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -73.76 -46.37 46.06 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.829 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.22 -43.72 87.86 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 120.69 1.586 . . . . 0.0 114.357 169.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.2 t -63.38 -28.38 69.95 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -67.65 -40.95 84.53 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 124.96 1.304 . . . . 0.0 114.021 169.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -72.9 -34.05 66.4 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.06 1.3 . . . . 0.0 112.255 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.74 -42.47 93.26 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.69 -44.12 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.043 0 CA-C-O 117.127 -1.416 . . . . 0.0 114.216 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.54 -35.18 53.01 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.04 1.866 . . . . 0.0 116.04 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.7 p -90.43 -54.98 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.126 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.184 174.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.6 tpp -60.86 -42.27 97.52 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 121.292 1.86 . . . . 0.0 114.397 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.0 m -65.71 -27.8 68.6 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 168.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.49 -45.25 55.12 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.332 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.67 -35.2 72.2 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 169.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -54.15 -41.32 68.31 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.888 1.675 . . . . 0.0 115.256 169.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.4 -30.23 19.65 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.429 -2.224 . . . . 0.0 116.241 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.9 m -57.78 -42.3 83.83 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 122.296 2.317 . . . . 0.0 114.572 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.5 -51.09 21.52 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.217 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 m -69.33 -36.1 76.59 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.85 -29.95 68.37 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 115.098 -2.382 . . . . 0.0 113.012 168.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -80.58 28.79 0.32 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.529 1.968 . . . . 0.0 115.269 169.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -134.74 -21.95 1.68 Allowed 'General case' 0 N--CA 1.513 2.691 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.05 -70.74 0.37 Allowed 'General case' 0 N--CA 1.517 2.889 0 C-N-CA 125.186 1.394 . . . . 0.0 108.966 -177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -92.24 -8.91 43.98 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.913 2.085 . . . . 0.0 108.201 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . 0.299 3.5 t 53.07 53.97 11.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 127.35 3.453 . . . . 0.0 111.762 -164.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? . . . . . 0 CA--C 1.535 0.397 1 CA-C-N 104.306 -5.861 . . . . 0.0 113.043 -168.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -70.43 -36.05 73.75 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -59.49 -42.74 92.8 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.53 -42.29 78.69 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 116.426 -1.749 . . . . 0.0 112.679 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.28 -39.3 63.83 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 121.039 1.745 . . . . 0.0 114.711 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.62 -38.46 89.49 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.781 -1.58 . . . . 0.0 113.289 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.67 -45.07 95.58 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.455 -1.736 . . . . 0.0 115.217 169.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.33 -37.99 89.44 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 7.5 mt-10 -68.72 -43.97 74.86 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.524 1.93 . . . . 0.0 115.483 173.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -73.07 -24.88 60.73 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.75 -50.06 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 CA-C-N 120.946 1.703 . . . . 0.0 113.609 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.7 -30.26 63.27 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.68 -48.41 69.38 Favored 'General case' 0 CA--C 1.577 1.996 0 CA-C-O 117.237 -1.363 . . . . 0.0 112.626 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.266 18.0 mt -54.86 -62.89 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.571 0 C-N-CA 125.06 1.344 . . . . 0.0 108.858 169.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -45.24 -37.21 4.46 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.76 -50.24 69.83 Favored Glycine 0 CA--C 1.556 2.616 0 C-N-CA 124.422 1.01 . . . . 0.0 114.733 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -64.09 -35.84 82.06 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 116.823 -1.56 . . . . 0.0 114.817 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.83 -46.27 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.666 0 CA-C-N 120.712 1.597 . . . . 0.0 110.802 170.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.32 -43.09 92.73 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 169.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -68.15 -22.81 64.84 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -76.16 -66.21 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-O 115.352 -2.261 . . . . 0.0 106.287 169.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.21 17.76 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.56 -43.25 39.77 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.845 -1.55 . . . . 0.0 112.199 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -68.81 -46.44 68.64 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 116.571 -1.68 . . . . 0.0 113.503 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.91 -45.93 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 126.148 1.779 . . . . 0.0 110.846 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.52 -33.34 67.96 Favored 'General case' 0 N--CA 1.508 2.427 0 CA-C-N 120.466 1.485 . . . . 0.0 113.835 168.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -35.11 76.35 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 168.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.01 -49.47 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.04 0 C-N-CA 125.899 1.68 . . . . 0.0 111.593 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.36 -22.88 66.86 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -78.97 -38.54 36.65 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.35 1.432 . . . . 0.0 112.209 168.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -75.13 -46.03 37.1 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.619 1.567 . . . . 0.0 114.308 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -64.07 -27.13 68.89 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.3 m -90.47 -39.62 12.5 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 116.215 -1.85 . . . . 0.0 114.001 169.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.29 -30.24 68.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.276 25.8 mt -86.45 -28.98 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.573 0 CA-C-O 116.183 -1.865 . . . . 0.0 107.675 169.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.66 -24.23 66.98 Favored 'General case' 0 CA--C 1.593 2.622 0 CA-C-N 122.306 2.321 . . . . 0.0 110.847 164.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.81 -49.13 14.93 Favored 'General case' 0 CA--C 1.567 1.607 0 CA-C-O 114.835 -2.507 . . . . 0.0 110.185 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -93.65 77.43 0.04 OUTLIER Pre-proline 0 CA--C 1.585 2.299 0 CA-C-N 123.203 2.729 . . . . 0.0 111.441 166.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -63.91 -5.35 8.94 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.492 3.462 . . . . 0.0 116.187 167.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -129.02 78.83 75.68 Favored Pre-proline 0 CA--C 1.595 2.681 0 N-CA-C 104.181 -2.526 . . . . 0.0 104.181 168.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -96.12 -162.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 124.013 3.142 . . . . 0.0 113.86 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.41 153.02 41.64 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.77 1.228 . . . . 0.0 111.956 169.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.65 -24.47 21.78 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -29.86 69.13 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 171.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -64.47 -54.83 26.38 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 116.36 -1.781 . . . . 0.0 114.359 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -20.2 33.32 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-O 115.484 -2.198 . . . . 0.0 115.773 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.93 -32.28 73.92 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 121.906 2.139 . . . . 0.0 112.752 168.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.01 -33.95 50.93 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 114.434 -2.698 . . . . 0.0 114.674 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.59 -37.8 79.48 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 123.881 3.037 . . . . 0.0 115.446 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.65 -26.49 66.24 Favored 'General case' 0 N--CA 1.505 2.288 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.829 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -73.92 -52.62 12.32 Favored 'General case' 0 CA--C 1.573 1.845 0 CA-C-O 115.712 -2.089 . . . . 0.0 112.667 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.18 -33.6 76.13 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -72.51 -42.2 65.07 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.706 1.594 . . . . 0.0 112.709 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.6 p -62.19 -31.35 71.85 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 168.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.36 -47.63 69.84 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.548 1.539 . . . . 0.0 114.428 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.71 -41.66 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.272 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.063 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -56.28 -53.38 57.88 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 120.819 1.645 . . . . 0.0 113.793 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.85 -42.27 73.79 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.925 -1.512 . . . . 0.0 114.975 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.3 m -73.22 -62.77 1.35 Allowed 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 114.545 -2.645 . . . . 0.0 109.36 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.35 -30.25 18.05 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 124.371 3.259 . . . . 0.0 117.465 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -71.4 -46.1 61.09 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.364 168.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -55.84 -36.73 67.85 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 168.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.67 -51.35 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 127.098 2.159 . . . . 0.0 108.808 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -53.33 -40.54 64.92 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m -63.27 -34.4 77.6 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 171.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -73.67 -28.62 61.85 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 120.79 1.632 . . . . 0.0 113.823 169.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -44.99 90.15 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 169.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -61.17 -38.17 85.53 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -58.47 -25.21 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 169.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mm -78.35 -51.08 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-O 116.314 -1.803 . . . . 0.0 109.522 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -61.35 -30.9 70.81 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -61.23 -43.25 99.18 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 116.585 -1.674 . . . . 0.0 115.137 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.2 m -77.91 -32.59 51.79 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 mt -79.36 -53.84 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -51.4 -20.45 1.78 Allowed 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -81.21 -50.48 9.52 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-O 115.61 -2.138 . . . . 0.0 111.046 169.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.7 -11.01 60.51 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.322 0.5 OUTLIER -75.06 -70.02 0.44 Allowed 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 126.415 1.886 . . . . 0.0 110.756 179.1 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.13 -9.83 37.39 Favored Glycine 0 CA--C 1.556 2.644 0 N-CA-C 119.313 2.485 . . . . 0.0 119.313 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.263 0.8 OUTLIER -72.64 -50.95 21.68 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.271 -1.824 . . . . 0.0 113.293 175.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.1 p30 146.93 93.22 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 129.683 3.193 . . . . 0.0 106.427 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -143.98 146.58 33.02 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.849 0.859 . . . . 0.0 109.903 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -150.22 91.28 1.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 m -151.52 154.56 36.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.492 1.117 . . . . 0.0 110.887 -170.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.17 86.24 2.98 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 124.603 2.144 . . . . 0.0 108.227 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -166.62 -57.75 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 110.681 -2.963 . . . . 0.0 107.831 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -9.87 59.1 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 169.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -90.81 -43.9 9.77 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.865 2.066 . . . . 0.0 109.447 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.256 17.9 mt -55.35 -49.4 73.09 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.518 0 C-N-CA 127.384 2.274 . . . . 0.0 110.667 168.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -59.6 -41.04 89.44 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.95 -33.22 75.24 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 168.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.2 m -61.57 -50.08 74.08 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 125.242 1.417 . . . . 0.0 113.437 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -76.47 -37.52 56.76 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 116.353 -1.784 . . . . 0.0 115.002 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.03 -45.62 91.45 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 121.09 1.768 . . . . 0.0 115.689 171.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -68.98 -33.41 73.64 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.0 m -76.44 -45.29 32.02 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 116.846 -1.549 . . . . 0.0 112.216 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.64 -40.61 92.62 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-O 116.533 -1.699 . . . . 0.0 114.972 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.0 p -68.2 -23.34 64.82 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -69.59 -46.84 65.39 Favored 'General case' 0 CA--C 1.575 1.942 0 C-N-CA 125.167 1.387 . . . . 0.0 113.018 169.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.93 -31.0 70.44 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 120.395 1.452 . . . . 0.0 113.072 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.37 -46.5 86.21 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.864 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.13 -43.84 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.365 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.21 -32.37 69.88 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -88.96 -53.23 9.83 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.263 0 CA-C-O 115.122 -2.371 . . . . 0.0 108.716 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.8 tpp -64.79 -45.59 85.66 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 122.942 2.61 . . . . 0.0 114.18 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.4 m -62.79 -26.54 68.77 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -79.41 -46.04 18.34 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 117.094 -1.432 . . . . 0.0 112.377 169.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.56 -32.62 69.08 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 169.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.74 -41.47 73.95 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 120.09 1.313 . . . . 0.0 113.852 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.16 -21.85 45.88 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.9 m -60.84 -23.85 65.42 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.85 -49.96 26.91 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 120.731 1.605 . . . . 0.0 113.391 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 t -75.27 -34.32 61.35 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.97 -8.65 54.7 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 115.828 -2.035 . . . . 0.0 113.214 167.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.19 -26.72 67.53 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 121.448 1.931 . . . . 0.0 113.311 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -151.77 12.82 0.61 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 120.017 3.339 . . . . 0.0 120.017 -166.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.68 -40.19 87.04 Favored 'General case' 0 N--CA 1.529 3.485 0 CA-C-O 124.11 1.91 . . . . 0.0 110.256 168.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.627 ' C ' ' H ' ' A' ' 146' ' ' LYS 0.255 16.7 tpp180 -166.41 -54.52 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 1 N-CA-C 97.375 -5.046 . . . . 0.0 97.375 165.446 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.2 t 69.18 -31.9 0.21 Allowed 'General case' 0 N--CA 1.513 2.713 0 CA-C-N 124.757 3.435 . . . . 0.0 115.322 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.627 ' H ' ' C ' ' A' ' 144' ' ' ARG . 53.4 mttp . . . . . 0 N--CA 1.504 2.243 0 C-N-CA 128.9 2.88 . . . . 0.0 111.916 170.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 102.114 -3.291 . . . . 0.0 102.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -57.0 -38.47 73.12 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.16 -41.39 18.54 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.638 -1.649 . . . . 0.0 113.924 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mtp -67.11 -36.66 82.41 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 116.313 -1.803 . . . . 0.0 113.631 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -61.29 -45.09 95.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 120.882 1.674 . . . . 0.0 114.662 169.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.23 -38.97 81.3 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 120.862 1.665 . . . . 0.0 113.966 169.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.53 -46.52 86.62 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -68.61 -41.35 79.66 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 116.252 -1.833 . . . . 0.0 115.602 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -66.69 -37.86 85.59 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -66.08 -40.66 91.0 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.98 -50.31 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.722 0 CA-C-O 116.813 -1.565 . . . . 0.0 112.585 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -28.04 64.63 Favored 'General case' 0 N--CA 1.509 2.487 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.7 -42.89 49.72 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.478 1.111 . . . . 0.0 111.699 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.254 26.6 mm -54.03 -58.19 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.434 0 C-N-CA 126.727 2.011 . . . . 0.0 110.455 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -46.39 -33.93 4.26 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.18 -50.82 59.86 Favored Glycine 0 CA--C 1.556 2.631 0 CA-C-O 118.73 -1.039 . . . . 0.0 114.442 168.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.64 -36.69 76.88 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 168.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.23 -49.36 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.697 0 C-N-CA 126.105 1.762 . . . . 0.0 110.37 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.82 -42.54 79.76 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -63.55 -21.6 66.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 169.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.52 -63.72 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.224 0 CA-C-O 115.639 -2.124 . . . . 0.0 106.773 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.32 -24.05 6.89 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 119.08 2.993 . . . . 0.0 119.08 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.3 -46.23 42.47 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 116.737 -1.601 . . . . 0.0 112.257 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -69.29 -45.57 69.29 Favored 'General case' 0 CA--C 1.568 1.649 0 CA-C-N 120.837 1.653 . . . . 0.0 113.904 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.09 -46.46 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 125.896 1.678 . . . . 0.0 111.025 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.98 -37.62 77.25 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 116.523 -1.703 . . . . 0.0 114.437 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.82 -35.63 80.51 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.39 1.45 . . . . 0.0 114.627 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.2 t -54.4 -51.01 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.988 0 CA-C-O 117.081 -1.437 . . . . 0.0 110.205 169.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.69 -24.42 67.63 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -77.67 -38.56 47.36 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.212 1.369 . . . . 0.0 112.158 168.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -76.82 -47.94 19.98 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -30.7 68.69 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 118.756 2.873 . . . . 0.0 118.756 -172.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.6 m -90.12 -15.38 31.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.18 -17.62 27.25 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.271 -1.347 . . . . 0.0 114.33 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.04 -36.2 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.419 -169.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -37.86 -43.04 0.65 Allowed 'General case' 0 N--CA 1.534 3.764 0 CA-C-N 124.174 3.17 . . . . 0.0 114.338 168.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' HD3' ' A' ' 65' ' ' PRO 0.254 . . -127.25 111.29 13.77 Favored 'General case' 0 N--CA 1.428 -1.558 1 N-CA-C 98.946 -4.464 . . . . 0.0 98.946 169.607 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -91.69 85.75 0.2 Allowed Pre-proline 0 CA--C 1.558 1.273 0 CA-C-N 111.896 -2.411 . . . . 0.0 106.676 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 63' ' ' ALA . 6.1 Cg_endo -75.89 4.44 5.19 Favored 'Trans proline' 0 CA--C 1.582 2.898 0 CA-C-N 123.805 2.395 . . . . 0.0 113.605 168.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -152.82 -53.85 0.02 OUTLIER Pre-proline 0 CA--C 1.59 2.512 0 CA-C-O 112.083 -3.818 . . . . 0.0 109.537 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -72.12 175.8 9.37 Favored 'Trans proline' 0 C--N 1.403 3.409 1 CA-C-N 128.937 4.228 . . . . 0.0 114.354 -172.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -142.21 -162.75 1.46 Allowed 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 125.666 1.586 . . . . 0.0 108.457 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.35 -17.62 5.15 Favored 'General case' 0 N--CA 1.512 2.657 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 169.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -55.99 -45.29 79.04 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 116.977 -1.487 . . . . 0.0 113.569 169.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.7 p -78.29 -34.23 48.93 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.571 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.72 -36.97 84.7 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 121.083 1.765 . . . . 0.0 114.924 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.87 -35.8 66.89 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.55 -29.59 64.91 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 116.49 -1.719 . . . . 0.0 115.278 169.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.1 mt -62.55 -35.69 80.25 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 121.205 1.821 . . . . 0.0 114.907 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.97 -21.47 66.5 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 168.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.07 -52.44 8.75 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 114.87 -2.49 . . . . 0.0 112.205 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.46 -35.84 82.25 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 123.428 2.831 . . . . 0.0 117.341 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.2 mtt -70.42 -43.06 70.74 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.127 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -66.74 -27.8 67.91 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 168.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.83 -43.6 75.19 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 171.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.47 -37.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-O 117.073 -1.442 . . . . 0.0 109.986 173.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.39 -49.01 75.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.785 1.634 . . . . 0.0 114.924 169.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -68.82 -46.6 68.19 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 117.296 -1.335 . . . . 0.0 114.234 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -70.83 -58.51 3.55 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 114.826 -2.512 . . . . 0.0 110.189 172.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.04 -35.17 46.28 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 123.458 2.845 . . . . 0.0 115.618 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -69.97 -41.4 74.5 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 122.288 2.313 . . . . 0.0 113.469 169.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -55.82 -36.49 67.53 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -89.72 -55.78 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.934 1.694 . . . . 0.0 110.065 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.263 20.5 ptt180 -59.21 -45.08 92.05 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.303 1.441 . . . . 0.0 113.225 -172.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -62.56 -19.57 63.81 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 168.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.89 -46.88 12.44 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.649 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.34 -21.37 63.83 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 120.993 1.724 . . . . 0.0 113.44 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.255 15.6 tppt? -59.23 -32.1 69.66 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-O 116.266 -1.826 . . . . 0.0 114.07 168.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -62.67 -24.79 67.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.96 -49.78 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 C-N-CA 126.135 1.774 . . . . 0.0 109.177 170.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.97 -27.43 68.27 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -61.42 -34.51 75.52 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 170.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 34.9 t -73.81 -57.0 4.28 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.982 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -56.67 -33.89 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.297 0 CA-C-O 113.09 -3.338 . . . . 0.0 109.984 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -15.9 42.17 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 123.488 2.858 . . . . 0.0 115.122 167.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -81.2 -3.18 51.44 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 119.956 1.253 . . . . 0.0 109.993 166.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.392 2.4 pt-20 55.79 57.8 4.94 Favored 'General case' 0 C--O 1.201 -1.491 1 C-N-CA 131.994 4.118 . . . . 0.0 107.016 -168.092 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 99' ' ' SER . 9.6 mt-10 -91.66 87.15 6.21 Favored 'General case' 0 N--CA 1.481 1.123 1 CA-C-O 128.93 4.205 . . . . 0.0 105.493 168.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.74 -21.35 0.91 Allowed Glycine 0 CA--C 1.56 2.859 2 CA-C-N 99.604 -7.998 . . . . 0.0 115.354 -166.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.491 HD21 ' H ' ' A' ' 107' ' ' ASN . 0.1 OUTLIER -40.06 -49.13 2.54 Favored 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 175.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.491 ' H ' HD21 ' A' ' 106' ' ' LEU . 18.5 t-20 -140.22 79.91 1.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 125.11 1.506 . . . . 0.0 108.017 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -152.0 121.93 7.07 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.3 m -135.28 92.44 2.85 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -140.19 1.47 1.81 Allowed 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 -175.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 54.96 -32.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -169.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.76 -41.11 98.05 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 116.492 -1.718 . . . . 0.0 114.37 169.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.02 -28.51 67.79 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -86.88 -37.43 17.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.062 1.745 . . . . 0.0 109.811 -169.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.251 52.2 mt -51.9 -38.84 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.978 0 C-N-CA 127.799 2.439 . . . . 0.0 110.602 166.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -47.34 81.66 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 127.144 2.178 . . . . 0.0 112.498 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -62.54 -33.24 74.52 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.306 1.442 . . . . 0.0 113.814 168.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -63.83 -44.5 93.01 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 124.677 1.191 . . . . 0.0 113.713 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.91 -44.94 45.95 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 115.833 -2.032 . . . . 0.0 113.625 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.0 -41.8 97.21 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 121.909 2.14 . . . . 0.0 115.888 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -66.86 -35.5 80.16 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 m -73.93 -46.65 42.91 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 120.036 1.289 . . . . 0.0 112.001 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.58 -46.06 73.66 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.16 1.784 . . . . 0.0 113.618 169.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.8 m -69.1 -29.63 67.76 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 169.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -61.74 -48.05 82.47 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.462 -1.733 . . . . 0.0 113.58 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -71.56 -24.27 61.9 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.359 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -39.07 77.6 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 169.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.18 -44.56 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 C-N-CA 125.202 1.401 . . . . 0.0 109.4 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -56.07 -8.9 0.52 Allowed 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.29 -55.25 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.153 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.9 mmm -65.41 -41.68 93.37 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 122.405 2.366 . . . . 0.0 114.199 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 61.4 m -61.87 -26.72 68.31 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 121.004 1.729 . . . . 0.0 115.446 168.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.31 -44.83 43.38 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-O 117.109 -1.424 . . . . 0.0 111.47 168.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -57.8 -29.38 64.85 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.05 -47.95 75.53 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 117.242 -1.361 . . . . 0.0 114.235 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.81 62.15 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 m -71.58 -49.14 43.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 117.117 -1.421 . . . . 0.0 112.602 171.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.1 -48.84 72.24 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.5 m -64.79 -35.68 81.88 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 171.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.48 -15.76 62.84 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.218 -2.325 . . . . 0.0 115.422 169.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.86 -46.21 25.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 122.178 2.263 . . . . 0.0 113.804 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.8 -26.31 20.63 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.69 -60.64 2.06 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 113.688 -3.053 . . . . 0.0 103.088 168.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -93.0 82.19 4.61 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 127.386 3.469 . . . . 0.0 109.082 166.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 p -106.03 -38.16 6.4 Favored 'General case' 0 CA--C 1.568 1.657 2 N-CA-C 93.34 -6.541 . . . . 0.0 93.34 162.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--N 1.376 1.758 0 C-N-CA 126.955 2.102 . . . . 0.0 107.352 165.587 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -63.27 -41.6 99.04 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -75.0 -43.84 51.58 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.5 mmm -71.61 -34.87 70.23 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.649 -1.644 . . . . 0.0 113.098 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -58.05 -42.52 85.59 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 116.012 -1.947 . . . . 0.0 114.24 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -39.79 91.32 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 121.273 1.852 . . . . 0.0 114.564 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.94 -43.84 70.15 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 169.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -70.4 -39.82 74.26 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.34 -42.71 99.14 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.78 -27.39 66.71 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.59 -47.0 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.567 0 CA-C-O 116.36 -1.781 . . . . 0.0 111.192 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.98 -28.8 40.02 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.56 -45.16 19.75 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 116.928 -1.51 . . . . 0.0 112.127 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 21.1 mm -57.3 -37.55 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-O 114.809 -2.52 . . . . 0.0 112.537 174.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -56.65 -28.99 61.78 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-N 122.736 2.516 . . . . 0.0 114.101 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.35 -47.08 65.43 Favored Glycine 0 CA--C 1.558 2.765 0 CA-C-O 117.619 -1.656 . . . . 0.0 112.767 167.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.06 -35.56 71.52 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.59 -54.0 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.539 1.536 . . . . 0.0 109.756 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -38.94 72.97 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -63.01 -27.61 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -78.98 -59.91 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.054 0 CA-C-O 115.389 -2.243 . . . . 0.0 106.705 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.19 10.78 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 118.895 2.924 . . . . 0.0 118.895 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.2 -47.01 21.38 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 120.059 1.299 . . . . 0.0 113.018 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.57 -37.6 84.46 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.98 -47.42 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 CA-C-O 116.184 -1.865 . . . . 0.0 110.902 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -54.36 -31.36 54.41 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.77 -48.38 54.65 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -50.19 -41.67 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.213 0 C-N-CA 125.042 1.337 . . . . 0.0 111.857 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.7 -31.62 72.85 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 115.476 -2.202 . . . . 0.0 115.569 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -75.3 -35.24 61.3 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-N 121.791 2.087 . . . . 0.0 113.243 168.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -69.56 -45.89 67.69 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.092 1.757 . . . . 0.0 115.401 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -69.89 -14.36 62.7 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 118.931 2.937 . . . . 0.0 118.931 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.2 t -90.1 -23.31 21.42 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 -30.95 17.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.932 169.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.555 1.15 0 CA-C-O 114.178 -2.82 . . . . 0.0 114.029 -167.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt . . . . . 0 CA--C 1.575 1.913 0 CA-C-O 115.574 -2.155 . . . . 0.0 114.453 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.91 -40.62 4.7 Favored 'General case' 0 CA--C 1.587 2.383 0 CA-C-N 122.664 2.484 . . . . 0.0 114.973 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.33 -23.6 21.09 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 115.706 -2.092 . . . . 0.0 116.001 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.37 -38.76 92.41 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 122.806 2.548 . . . . 0.0 115.714 -172.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.69 -21.65 63.08 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.99 -59.69 2.68 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.787 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.68 -37.24 85.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 123.057 2.662 . . . . 0.0 117.609 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.9 mtt -72.98 -43.04 62.68 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.29 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -68.07 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 168.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.74 -45.81 73.91 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.49 -42.99 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.585 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -52.12 -42.42 63.28 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 121.863 2.119 . . . . 0.0 115.637 170.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.27 -50.2 49.07 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.342 1.428 . . . . 0.0 114.463 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -66.56 -49.33 66.78 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 115.721 -2.085 . . . . 0.0 112.477 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.17 -42.97 41.59 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -69.86 -37.19 76.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 169.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -59.79 -46.94 87.64 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.3 -52.77 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 C-N-CA 125.744 1.618 . . . . 0.0 113.381 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -51.97 -38.33 56.19 Favored 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.5 m -70.25 -24.33 63.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 169.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -79.9 -26.05 40.37 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 122.073 2.215 . . . . 0.0 112.392 169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.287 84.2 mt -70.98 -43.75 67.39 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.364 2.266 . . . . 0.0 113.481 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -60.66 -46.42 90.38 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 115.391 -2.243 . . . . 0.0 112.164 168.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.1 p -51.88 -27.95 14.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm -76.59 -48.7 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 CA-C-O 115.85 -2.024 . . . . 0.0 109.937 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -62.42 -41.55 98.78 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 121.364 1.893 . . . . 0.0 114.75 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.79 -42.43 93.35 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 126.605 1.962 . . . . 0.0 114.442 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.471 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.65 -40.49 87.86 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 169.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.55 -33.66 68.35 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.699 1.6 . . . . 0.0 115.276 169.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -90.64 -36.83 14.16 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.504 1.522 . . . . 0.0 109.56 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.26 -37.25 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.863 0 C-N-CA 126.591 1.956 . . . . 0.0 109.873 166.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -65.66 -45.63 82.19 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 125.415 1.486 . . . . 0.0 112.566 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -65.43 -30.0 70.75 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -61.53 -48.21 82.06 Favored 'General case' 0 CA--C 1.58 2.102 0 CA-C-N 120.026 1.285 . . . . 0.0 113.778 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -70.93 -37.71 72.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 116.613 -1.661 . . . . 0.0 114.482 170.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.4 -46.07 91.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.9 p -65.04 -28.18 69.31 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.7 m -77.86 -45.06 25.35 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.232 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.66 -46.42 88.26 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -72.49 -30.62 64.68 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 128' ' ' VAL . 27.8 tpt180 -68.48 -41.85 79.54 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.45 170.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -70.19 -37.05 75.02 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 120.943 1.702 . . . . 0.0 113.416 169.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.01 -37.51 87.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 116.07 -1.919 . . . . 0.0 115.414 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 125' ' ' ARG . 2.1 p -70.18 -43.06 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-N 121.06 1.755 . . . . 0.0 113.807 174.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 -32.9 35.49 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.54 -52.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 115.631 -2.128 . . . . 0.0 112.259 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.1 tpp -64.14 -43.7 94.44 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.122 2.237 . . . . 0.0 114.406 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.4 t -64.31 -27.49 69.06 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -42.09 63.89 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-O 117.218 -1.372 . . . . 0.0 112.367 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -35.65 78.46 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.75 -41.41 81.88 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.388 -1.291 . . . . 0.0 113.747 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.37 59.49 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 168.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.0 m -66.78 -46.02 76.63 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.856 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.66 -44.91 84.87 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 116.714 -1.612 . . . . 0.0 114.255 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.0 m -66.96 -39.32 87.22 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 115.754 -2.069 . . . . 0.0 115.204 169.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.81 -17.88 61.92 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.455 1.934 . . . . 0.0 116.112 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 CA--C 1.573 1.852 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 169.193 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.566 1.562 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.49 -43.91 92.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 121.451 1.932 . . . . 0.0 115.438 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -78.28 -42.86 29.69 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.1 mmt -69.88 -36.61 75.6 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 116.279 -1.82 . . . . 0.0 114.377 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -63.19 -42.27 99.32 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 115.7 -2.095 . . . . 0.0 115.006 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.51 -43.53 85.02 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-N 122.047 2.203 . . . . 0.0 114.569 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.34 -42.68 99.08 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.925 -1.988 . . . . 0.0 116.149 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -71.52 -34.18 69.86 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 121.403 1.911 . . . . 0.0 115.623 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.309 1.3 pt-20 -68.76 -44.89 72.78 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 174.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.29 -39.76 92.96 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -53.04 -45.96 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.884 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.1 -30.51 62.17 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 170.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.83 -41.74 67.82 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.426 1.09 . . . . 0.0 112.044 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.67 -49.11 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 CA-C-O 116.533 -1.699 . . . . 0.0 111.11 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.22 -29.79 70.04 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.57 50.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 116.188 1.235 . . . . 0.0 116.188 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -61.07 -40.91 95.48 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 169.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.4 -38.69 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.8 0 CA-C-O 116.567 -1.683 . . . . 0.0 110.594 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.51 -43.66 98.26 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 116.462 -1.733 . . . . 0.0 114.83 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.19 -37.28 86.63 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 121.157 1.799 . . . . 0.0 113.8 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.19 -60.84 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.232 0 CA-C-O 115.158 -2.353 . . . . 0.0 106.186 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.52 -22.3 43.45 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.34 -46.59 26.88 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 116.908 -1.52 . . . . 0.0 111.78 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -67.79 -47.1 70.07 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 120.842 1.656 . . . . 0.0 113.544 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.63 -46.22 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 0 C-N-CA 127.131 2.172 . . . . 0.0 111.243 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.11 -36.23 74.8 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.857 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.53 -40.81 80.6 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 120.389 1.449 . . . . 0.0 114.054 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 t -51.56 -42.74 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 CA-C-N 120.642 1.564 . . . . 0.0 110.859 169.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -59.56 -36.38 76.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.12 -34.75 68.81 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 119.605 1.093 . . . . 0.0 113.491 169.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.66 -46.48 53.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -36.81 78.57 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -74.62 -45.35 45.55 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.336 -1.792 . . . . 0.0 115.203 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.75 68.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.978 2.214 . . . . 0.0 116.978 169.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.205 169.919 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt . . . . . 0 N--CA 1.503 2.224 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -40.2 -38.57 0.79 Allowed 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 127.063 2.145 . . . . 0.0 116.543 168.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.94 -27.34 30.64 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 115.612 -2.137 . . . . 0.0 115.14 169.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.66 -33.72 70.42 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 122.495 2.407 . . . . 0.0 116.562 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.31 -28.35 67.09 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.561 168.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.88 -53.86 13.57 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.83 -2.034 . . . . 0.0 112.251 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.64 -29.94 70.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.3 mtt -75.09 -47.27 29.56 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.894 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.22 -19.72 64.78 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.84 -48.2 22.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.26 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.3 -39.06 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.449 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.71 -47.57 76.62 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-O 116.239 -1.839 . . . . 0.0 114.583 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 120.947 1.703 . . . . 0.0 114.792 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 89' ' ' VAL . 89.3 m -73.57 -61.99 1.64 Allowed 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 114.943 -2.456 . . . . 0.0 109.568 172.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.21 -31.65 8.96 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 123.782 2.992 . . . . 0.0 117.656 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.17 -47.75 48.47 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 117.522 -1.228 . . . . 0.0 112.459 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -54.72 -31.95 58.97 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 85' ' ' THR . 98.1 t -86.79 -54.87 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 127.283 2.233 . . . . 0.0 108.083 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.67 -41.71 67.16 Favored 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 m -60.79 -30.12 69.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -75.87 -37.01 59.34 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.605 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.22 -42.66 99.3 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -58.66 -37.22 75.51 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 170.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.8 m -64.0 -25.38 68.1 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.1 mp -76.49 -51.59 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 CA-C-O 116.205 -1.855 . . . . 0.0 108.59 169.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.47 -42.8 95.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 169.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 174.054 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -36.46 82.03 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.77 -30.44 71.45 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 125.772 1.629 . . . . 0.0 114.873 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -90.95 -33.39 15.6 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.496 1.518 . . . . 0.0 111.825 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 mt -53.0 -47.17 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.511 0 C-N-CA 126.719 2.007 . . . . 0.0 111.092 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -56.41 -44.08 79.98 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 124.897 1.279 . . . . 0.0 114.193 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -62.67 -37.6 87.07 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.788 1.635 . . . . 0.0 115.106 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.6 m -63.55 -45.46 90.4 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.236 1.414 . . . . 0.0 113.934 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.68 -38.45 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.917 -1.992 . . . . 0.0 114.745 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -63.54 -35.91 82.03 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.448 1.931 . . . . 0.0 115.861 172.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -66.95 -39.87 87.38 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -68.81 -44.72 72.94 Favored 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 120.121 1.328 . . . . 0.0 112.908 169.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 -43.51 83.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.548 1.539 . . . . 0.0 114.055 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -69.49 -28.69 66.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -67.21 -37.93 84.46 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -39.27 55.3 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.789 1.632 . . . . 0.0 113.393 169.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -60.55 -35.96 77.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 116.032 -1.937 . . . . 0.0 114.874 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.43 -44.82 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-N 121.139 1.79 . . . . 0.0 114.229 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.27 -31.03 30.74 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -98.68 -50.06 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.086 0 CA-C-O 115.828 -2.034 . . . . 0.0 112.855 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.9 -45.61 88.58 Favored 'General case' 0 N--CA 1.505 2.292 0 CA-C-N 121.886 2.13 . . . . 0.0 113.825 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.4 t -64.9 -28.92 69.87 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.27 -44.68 67.94 Favored 'General case' 0 CA--C 1.577 1.996 0 C-N-CA 125.171 1.389 . . . . 0.0 112.184 168.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -60.12 -36.25 77.05 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.31 -43.21 92.66 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-O 117.211 -1.376 . . . . 0.0 114.22 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.31 60.9 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 169.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.7 m -67.73 -46.68 71.45 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.724 -1.608 . . . . 0.0 113.57 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -66.02 -46.3 78.41 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.336 -1.792 . . . . 0.0 113.849 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 50.5 m -63.38 -31.2 72.29 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.31 -27.59 67.28 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.363 -1.779 . . . . 0.0 115.297 169.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 CA--C 1.574 1.876 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 170.453 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.55 -37.94 80.37 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -79.39 -45.79 18.85 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.908 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -70.43 -37.17 74.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.185 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.08 -40.41 89.45 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 120.553 1.524 . . . . 0.0 113.618 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -36.88 85.08 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.184 1.356 . . . . 0.0 114.346 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -60.06 -49.21 78.53 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-O 116.466 -1.73 . . . . 0.0 114.93 169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.76 -34.34 76.63 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.71 -44.95 84.54 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 126.517 1.927 . . . . 0.0 116.073 169.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -70.25 -20.22 63.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.05 -48.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-O 116.392 -1.766 . . . . 0.0 111.614 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.76 -27.8 60.09 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.86 2.541 . . . . 0.0 117.86 173.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.73 -35.99 57.45 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 117.205 -1.379 . . . . 0.0 112.981 168.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.294 19.3 mt -60.43 -64.02 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.515 2.797 0 C-N-CA 125.223 1.409 . . . . 0.0 108.48 169.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.05 -33.64 8.34 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 171.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.11 -50.19 70.32 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-O 118.307 -1.274 . . . . 0.0 114.96 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.8 -43.21 97.0 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 116.599 -1.667 . . . . 0.0 113.513 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.3 mt -58.51 -47.47 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.754 0 C-N-CA 125.768 1.627 . . . . 0.0 110.623 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -54.71 -44.41 73.43 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -67.22 -22.4 65.71 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 116.196 -1.859 . . . . 0.0 115.987 169.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.21 -66.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 CA-C-O 115.16 -2.352 . . . . 0.0 105.879 168.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -22.13 60.65 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.71 -46.37 25.76 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 116.631 -1.652 . . . . 0.0 111.567 169.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.19 -42.54 72.27 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.301 1.864 . . . . 0.0 113.385 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.0 -46.24 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 C-N-CA 126.515 1.926 . . . . 0.0 111.096 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.88 -34.51 69.85 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-N 120.834 1.652 . . . . 0.0 114.031 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.55 -43.61 84.61 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.67 -48.97 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.832 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.439 171.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.22 -27.89 69.3 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -76.36 -35.23 58.79 Favored 'General case' 0 N--CA 1.508 2.475 0 CA-C-N 120.555 1.525 . . . . 0.0 113.325 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -76.01 -43.3 44.85 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -73.66 -47.71 37.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.56 -1.686 . . . . 0.0 115.061 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.69 -22.03 65.29 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt . . . . . 0 N--CA 1.499 2.008 0 CA-C-O 116.439 -1.743 . . . . 0.0 108.173 174.328 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 117.247 -1.358 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -44.44 -36.87 3.1 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 115.794 1.776 . . . . 0.0 115.794 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.64 -28.89 51.47 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 115.1 -2.381 . . . . 0.0 115.289 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.93 -41.79 96.9 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 122.97 2.623 . . . . 0.0 116.141 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.14 -30.17 71.38 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.68 -52.78 13.84 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.786 -2.055 . . . . 0.0 112.922 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.26 -34.63 78.8 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 mmt -71.45 -44.39 64.91 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 116.982 -1.485 . . . . 0.0 113.645 170.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -65.82 -28.16 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 169.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.17 -45.92 72.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.4 mt -68.91 -39.59 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-O 115.857 -2.02 . . . . 0.0 110.16 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.31 -49.5 75.9 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 121.619 2.009 . . . . 0.0 114.075 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.12 -43.58 70.71 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.6 1.546 . . . . 0.0 114.189 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 m -68.39 -50.24 54.39 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-O 115.719 -2.086 . . . . 0.0 112.654 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.89 69.26 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -69.8 -37.67 76.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 170.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 120.807 1.639 . . . . 0.0 114.773 169.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.36 -52.97 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.113 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -53.9 -44.49 70.54 Favored 'General case' 0 N--CA 1.515 2.776 0 CA-C-N 120.849 1.659 . . . . 0.0 114.139 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -59.4 -30.1 68.2 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -71.41 -38.93 71.39 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.008 169.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.37 -47.22 76.13 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 169.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 115.714 -2.089 . . . . 0.0 115.194 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 t -59.1 -20.7 55.82 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 169.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.09 -48.94 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.26 0 CA-C-O 116.061 -1.923 . . . . 0.0 108.005 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.4 -42.98 97.07 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 121.485 1.948 . . . . 0.0 115.494 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.62 -40.28 96.49 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 173.256 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -40.05 77.28 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 119.953 1.252 . . . . 0.0 113.015 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.1 -33.03 74.57 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 125.615 1.566 . . . . 0.0 114.416 168.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -91.65 -43.66 9.48 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.705 1.602 . . . . 0.0 112.579 -168.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.6 mt -44.53 -47.06 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.776 0 C-N-CA 126.292 1.837 . . . . 0.0 112.237 167.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.24 -45.37 76.93 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.184 1.794 . . . . 0.0 112.218 -174.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.42 -24.43 64.74 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 116.476 -1.726 . . . . 0.0 114.591 168.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.6 m -65.82 -52.9 46.8 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 120.885 1.675 . . . . 0.0 112.963 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.71 -38.52 67.47 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 116.661 -1.638 . . . . 0.0 114.922 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.91 -45.15 93.46 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 172.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.5 m -69.28 -34.33 74.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -72.68 -47.12 49.94 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-N 120.176 1.353 . . . . 0.0 112.124 169.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.77 -44.65 82.03 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.86 1.664 . . . . 0.0 114.241 169.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.9 m -64.71 -33.6 76.33 Favored 'General case' 0 CA--C 1.565 1.549 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.781 -1.581 . . . . 0.0 114.459 170.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -68.42 -33.74 74.76 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.922 1.237 . . . . 0.0 113.776 169.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.41 -41.45 89.5 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.1 t -73.11 -47.4 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.403 0 C-N-CA 125.509 1.523 . . . . 0.0 109.581 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.03 -11.52 0.09 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 116.89 2.182 . . . . 0.0 116.89 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.66 -53.93 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 CA-C-O 116.123 -1.894 . . . . 0.0 111.88 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.8 mmt -59.47 -41.13 89.06 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 121.643 2.019 . . . . 0.0 115.463 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.5 p -69.46 -29.83 67.59 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.62 -40.66 69.64 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.009 1.277 . . . . 0.0 111.403 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.96 -35.22 77.82 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.77 -44.09 73.35 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.672 1.589 . . . . 0.0 115.063 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.15 49.2 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 169.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.7 m -65.76 -45.57 82.05 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.871 1.669 . . . . 0.0 113.95 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -66.63 -47.8 71.47 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.195 -1.859 . . . . 0.0 113.932 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.2 t -68.1 -35.9 78.91 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.53 -12.58 61.66 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.23 -1.843 . . . . 0.0 115.072 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.3 t80 . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 121.203 1.819 . . . . 0.0 110.841 168.876 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -35.08 76.02 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.25 -43.91 22.81 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.2 mmm -68.33 -37.44 80.55 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 116.66 -1.638 . . . . 0.0 113.229 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -59.31 -43.49 92.64 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 116.487 -1.72 . . . . 0.0 113.901 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -37.26 82.59 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.91 1.686 . . . . 0.0 113.632 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -62.44 -41.83 99.01 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 116.182 -1.866 . . . . 0.0 115.676 169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -67.22 -39.42 86.27 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.19 -41.76 76.72 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.4 -26.94 67.48 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.63 -47.86 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 CA-C-O 116.581 -1.676 . . . . 0.0 111.307 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.55 -26.87 34.68 Favored 'General case' 0 CA--C 1.58 2.131 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -71.42 -53.46 13.95 Favored 'General case' 0 CA--C 1.586 2.339 0 C-N-CA 124.85 1.26 . . . . 0.0 111.296 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.255 17.1 mm -44.25 -47.76 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.569 0 C-N-CA 127.411 2.284 . . . . 0.0 112.772 169.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -55.68 -36.62 67.33 Favored 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -51.83 55.86 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 170.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -58.32 -37.74 75.72 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 169.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.6 -50.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 125.581 1.552 . . . . 0.0 110.321 176.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.83 -41.67 74.62 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -30.88 70.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.24 -62.85 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 CA-C-O 115.512 -2.185 . . . . 0.0 107.655 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.14 19.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 118.642 2.83 . . . . 0.0 118.642 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.03 -45.27 50.71 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 116.689 -1.624 . . . . 0.0 112.399 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -70.84 -42.92 69.55 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 115.979 -1.962 . . . . 0.0 113.981 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.41 -47.83 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-N 121.007 1.73 . . . . 0.0 110.448 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.96 -34.34 65.61 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-N 120.535 1.516 . . . . 0.0 114.218 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.13 -38.5 82.25 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.63 -51.24 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 0 CA-C-O 116.188 -1.863 . . . . 0.0 110.718 171.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -65.75 -18.63 65.46 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -80.98 -31.92 34.57 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 120.548 1.522 . . . . 0.0 111.486 167.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -73.37 -71.17 0.33 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.982 1.313 . . . . 0.0 112.157 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -43.4 -33.93 1.16 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 119.172 3.027 . . . . 0.0 119.172 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 m -88.59 -28.79 20.47 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.386 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 -13.88 60.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 121.94 2.155 . . . . 0.0 116.185 169.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -175.864 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.81 -42.83 99.51 Favored 'General case' 0 CA--C 1.578 2.031 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 168.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.76 -21.95 56.95 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 115.997 -1.954 . . . . 0.0 116.187 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.77 -34.07 77.02 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 122.352 2.342 . . . . 0.0 114.937 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -21.66 66.58 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 119.842 1.201 . . . . 0.0 114.081 168.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.08 -54.87 6.2 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-O 114.773 -2.537 . . . . 0.0 111.628 169.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -29.48 70.31 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 123.144 2.702 . . . . 0.0 117.74 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.7 mmt -69.86 -49.04 56.22 Favored 'General case' 0 N--CA 1.505 2.296 0 CA-C-O 116.978 -1.487 . . . . 0.0 112.772 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.44 -26.04 67.78 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -69.77 -42.08 74.29 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 116.122 -1.894 . . . . 0.0 115.12 171.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.5 mt -77.24 -38.11 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 CA-C-N 121.279 1.854 . . . . 0.0 109.887 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -59.66 -42.67 93.36 Favored 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 121.011 1.732 . . . . 0.0 114.74 169.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -68.19 -51.6 43.79 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.694 1.588 . . . . 0.0 113.651 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -65.14 -57.99 7.17 Favored 'General case' 0 CA--C 1.573 1.848 0 CA-C-O 115.054 -2.403 . . . . 0.0 110.862 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.63 -33.19 45.57 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 114.851 -2.499 . . . . 0.0 116.078 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -68.4 -37.1 80.03 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 122.273 2.306 . . . . 0.0 114.661 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -60.48 -34.15 73.63 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.473 1.488 . . . . 0.0 114.505 168.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.15 -60.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.681 1.592 . . . . 0.0 109.34 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -53.27 -50.44 64.83 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 126.682 1.993 . . . . 0.0 113.602 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -60.41 -23.8 64.65 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 168.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -73.9 -39.96 63.5 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 117.247 -1.359 . . . . 0.0 114.375 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.0 -45.05 91.59 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 127.269 2.228 . . . . 0.0 115.33 170.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -63.54 -28.32 69.86 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 115.441 -2.219 . . . . 0.0 116.128 169.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.9 m -69.38 -28.08 65.88 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 121.643 2.02 . . . . 0.0 115.7 168.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.2 mm -77.49 -46.77 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.542 169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -64.02 -39.52 94.28 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 120.389 1.45 . . . . 0.0 114.805 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -61.56 -41.28 97.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.086 -1.435 . . . . 0.0 114.583 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 178.199 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -49.81 -44.02 48.95 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.99 -36.16 62.62 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 126.617 1.967 . . . . 0.0 114.541 168.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.0 -38.17 13.0 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.604 1.962 . . . . 0.0 110.584 -169.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.14 -48.98 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.564 0 C-N-CA 128.519 2.728 . . . . 0.0 110.635 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.03 -45.59 75.2 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 125.429 1.492 . . . . 0.0 114.359 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -62.11 -35.31 78.33 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.7 m -62.14 -49.56 75.38 Favored 'General case' 0 CA--C 1.58 2.126 0 C-N-CA 125.341 1.456 . . . . 0.0 113.666 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -78.85 -35.3 44.11 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 115.948 -1.977 . . . . 0.0 116.25 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -62.48 -45.88 91.01 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 121.647 2.022 . . . . 0.0 115.576 170.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -64.15 -39.63 94.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m -70.03 -43.39 71.39 Favored 'General case' 0 CA--C 1.58 2.113 0 CA-C-O 117.309 -1.329 . . . . 0.0 112.67 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.9 mt -57.08 -42.96 81.66 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 116.895 -1.526 . . . . 0.0 114.103 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p -63.11 -27.53 69.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 168.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -69.37 -42.08 75.67 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 116.592 -1.671 . . . . 0.0 114.813 169.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -72.07 -34.2 68.53 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 121.422 1.919 . . . . 0.0 113.387 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.04 -43.02 99.84 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 169.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.71 -43.14 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.381 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.68 -33.43 64.12 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -88.59 -53.06 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 CA-C-O 115.191 -2.338 . . . . 0.0 109.155 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.34 -43.48 77.4 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.896 2.589 . . . . 0.0 113.562 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.5 m -60.98 -27.51 68.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.795 1.634 . . . . 0.0 114.698 168.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.57 -41.72 62.56 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 125.503 1.521 . . . . 0.0 111.687 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.02 -34.56 76.44 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.74 -43.4 90.24 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 117.159 -1.401 . . . . 0.0 114.216 169.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.9 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.5 m -67.0 -49.51 65.13 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-N 120.653 1.569 . . . . 0.0 113.431 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.62 -47.04 73.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 116.138 -1.887 . . . . 0.0 113.835 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 54.7 m -66.66 -37.13 84.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 171.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.04 -16.56 63.17 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 115.944 -1.979 . . . . 0.0 114.818 168.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.497 1.881 0 CA-C-N 121.394 1.906 . . . . 0.0 114.981 169.732 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 102.639 -3.097 . . . . 0.0 102.639 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.09 -27.86 67.69 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -66.38 -45.51 79.83 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.92 -34.94 78.88 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 117.002 -1.475 . . . . 0.0 114.016 169.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.67 -42.91 84.51 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.939 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.25 -41.76 97.45 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.67 168.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.03 -40.78 86.07 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 116.384 -1.77 . . . . 0.0 115.398 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -65.66 -44.2 87.05 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.34 -40.97 81.4 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.22 -19.07 65.72 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.73 -47.28 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 CA-C-O 116.049 -1.929 . . . . 0.0 111.823 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.87 -27.64 44.13 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.35 -49.11 52.72 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.668 1.187 . . . . 0.0 112.595 169.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.261 28.0 mt -53.84 -54.96 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.9 0 C-N-CA 126.222 1.809 . . . . 0.0 110.79 169.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -53.92 -31.4 50.05 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.77 41.89 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-O 118.313 -1.27 . . . . 0.0 114.495 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -59.76 -29.86 68.47 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 116.76 -1.591 . . . . 0.0 115.234 168.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -69.42 -53.49 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 CA-C-O 116.392 -1.766 . . . . 0.0 109.459 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -48.97 -40.81 31.91 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 169.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -64.74 -15.56 61.71 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mm -77.87 -67.78 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.219 0 CA-C-O 115.245 -2.312 . . . . 0.0 105.761 169.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.48 10.49 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.34 -46.86 38.05 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.847 -1.549 . . . . 0.0 111.923 169.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.9 -42.72 73.02 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 116.067 -1.921 . . . . 0.0 113.654 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 t -60.47 -46.71 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 120.872 1.669 . . . . 0.0 110.864 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.34 -34.75 66.88 Favored 'General case' 0 N--CA 1.508 2.436 0 CA-C-N 120.517 1.508 . . . . 0.0 113.895 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 25.7 tt0 -68.99 -39.18 79.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-O 117.039 -1.457 . . . . 0.0 113.431 168.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.8 t -47.63 -44.84 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.275 0 CA-C-N 120.573 1.533 . . . . 0.0 112.285 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -67.13 -35.23 79.28 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 116.168 -1.872 . . . . 0.0 115.289 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 26.9 ptt180 -74.51 -22.71 58.91 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 120.95 1.704 . . . . 0.0 113.436 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -75.41 -59.2 2.85 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 125.957 1.703 . . . . 0.0 114.219 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.22 -38.97 92.95 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -169.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 m -77.65 -38.91 46.77 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 116.041 -1.933 . . . . 0.0 115.593 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.85 67.87 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.504 2.274 0 CA-C-O 115.177 -2.344 . . . . 0.0 108.121 169.712 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt . . . . . 0 N--CA 1.501 2.117 0 CA-C-O 117.476 -1.25 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.08 -35.74 48.6 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 168.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.35 -18.36 49.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 115.249 -2.31 . . . . 0.0 115.395 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.667 2.94 . . . . 0.0 114.814 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.96 -22.55 67.02 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 116.919 -1.515 . . . . 0.0 113.241 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.78 -50.92 21.31 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 114.514 -2.66 . . . . 0.0 112.531 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.38 -41.99 94.92 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 123.278 2.763 . . . . 0.0 115.978 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.79 -42.81 73.27 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.153 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.8 p -64.43 -32.12 73.61 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 168.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.33 -46.72 85.31 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.623 1.569 . . . . 0.0 115.164 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.9 mt -74.39 -33.83 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 CA-C-O 116.239 -1.839 . . . . 0.0 110.29 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -60.44 -45.11 94.86 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 121.126 1.784 . . . . 0.0 113.977 169.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -72.58 -45.0 61.29 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 116.378 -1.772 . . . . 0.0 114.16 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 m -70.91 -48.71 52.16 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 115.273 -2.299 . . . . 0.0 112.683 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.21 89.37 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 114.617 -2.611 . . . . 0.0 114.136 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.8 -31.69 72.8 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 122.682 2.492 . . . . 0.0 115.872 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.51 -42.45 87.73 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.27 -53.76 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 C-N-CA 125.759 1.624 . . . . 0.0 114.401 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -55.04 -49.67 70.99 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.784 1.633 . . . . 0.0 113.849 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -60.12 -21.45 61.59 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -89.58 -39.44 13.27 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.321 1.3 tt -64.76 -38.75 92.04 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.337 1.855 . . . . 0.0 113.521 171.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -57.98 -41.83 83.79 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.485 1.948 . . . . 0.0 114.124 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -53.04 -26.76 16.82 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 168.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -72.13 -48.07 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.341 0 CA-C-O 116.299 -1.81 . . . . 0.0 109.108 169.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -46.5 87.98 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.2 -39.51 82.85 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 169.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -54.6 -40.46 68.89 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.0 -25.62 67.16 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -90.29 -34.15 15.85 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.75 1.62 . . . . 0.0 109.981 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.1 mt -60.85 -47.23 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.79 0 C-N-CA 127.711 2.405 . . . . 0.0 109.302 167.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -54.98 -41.25 70.96 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.104 1.762 . . . . 0.0 115.151 170.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 168.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -59.84 -44.74 93.92 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 125.478 1.511 . . . . 0.0 113.868 172.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -79.96 -40.22 28.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 115.658 -2.115 . . . . 0.0 114.437 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -63.04 -45.81 90.51 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 122.22 2.282 . . . . 0.0 115.263 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 t -70.09 -32.79 71.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 m -76.87 -44.71 30.96 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.992 -1.48 . . . . 0.0 111.912 169.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -59.94 -45.29 93.1 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.669 169.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -61.36 -26.74 68.03 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 169.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -68.88 -41.62 78.06 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -75.94 -34.54 59.86 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.515 1.507 . . . . 0.0 112.754 168.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.03 -34.91 77.1 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.61 -44.76 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.827 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.23 -30.28 62.14 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 173.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.46 -58.16 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 114.587 -2.625 . . . . 0.0 107.768 173.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.6 mmm -66.2 -41.79 89.71 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 123.548 2.886 . . . . 0.0 114.209 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.4 t -61.93 -25.49 67.61 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 120.967 1.712 . . . . 0.0 115.492 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.61 -47.3 19.7 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 116.793 -1.575 . . . . 0.0 112.213 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.44 -27.29 64.21 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 170.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -64.63 -45.73 85.59 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 117.346 -1.311 . . . . 0.0 114.45 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.85 62.75 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 116.898 -1.525 . . . . 0.0 114.461 168.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.1 m -68.16 -35.86 78.73 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 116.065 -1.922 . . . . 0.0 115.454 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -71.87 -43.81 64.81 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 116.211 -1.852 . . . . 0.0 114.396 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.4 t -74.27 -41.37 61.35 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 121.245 1.839 . . . . 0.0 113.772 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.77 2.82 4.81 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.698 -1.62 . . . . 0.0 113.536 168.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.375 1.708 0 CA-C-N 121.429 1.922 . . . . 0.0 108.264 165.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.562 1.426 0 CA-C-O 117.365 -1.302 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.21 -36.52 80.12 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.53 -48.18 15.78 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 116.368 -1.777 . . . . 0.0 113.124 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.08 -15.75 61.49 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.516 1.962 . . . . 0.0 114.276 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -68.24 -40.93 81.86 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.138 1.79 . . . . 0.0 110.426 167.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.36 -35.85 76.67 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.217 167.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -58.85 -48.24 82.06 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.13 -1.89 . . . . 0.0 113.901 168.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -60.89 -32.77 72.22 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.25 9.5 mt-10 -64.11 -47.78 78.65 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 126.358 1.863 . . . . 0.0 115.428 169.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.85 -14.57 62.0 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.95 -48.45 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 116.54 -1.695 . . . . 0.0 110.296 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.46 -28.72 31.92 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 169.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.06 -47.82 64.36 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.171 -1.395 . . . . 0.0 112.618 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.264 22.2 mt -55.12 -61.86 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 CA-C-N 120.142 1.337 . . . . 0.0 109.314 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -48.77 -34.34 12.08 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.7 -48.4 84.48 Favored Glycine 0 CA--C 1.557 2.658 0 CA-C-O 118.786 -1.008 . . . . 0.0 114.471 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -63.58 -36.57 84.25 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-O 116.797 -1.573 . . . . 0.0 114.894 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.84 -46.4 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.705 0 CA-C-N 120.779 1.627 . . . . 0.0 110.915 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.13 -43.17 99.43 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -67.64 -17.29 64.55 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -80.21 -65.55 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 CA-C-O 115.378 -2.249 . . . . 0.0 105.813 169.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -26.68 15.36 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.13 -44.05 55.19 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.938 -1.506 . . . . 0.0 112.605 169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -68.82 -43.95 74.49 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.472 1.487 . . . . 0.0 114.05 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.31 -46.49 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 C-N-CA 126.088 1.755 . . . . 0.0 110.99 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.8 -36.26 80.58 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 116.525 -1.703 . . . . 0.0 115.099 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.27 -36.78 85.17 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 120.636 1.562 . . . . 0.0 114.939 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.76 -53.95 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.013 0 C-N-CA 125.391 1.476 . . . . 0.0 110.888 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.5 -15.75 40.84 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -49.87 18.66 Favored 'General case' 0 CA--C 1.589 2.447 0 C-N-CA 124.352 1.061 . . . . 0.0 109.433 167.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -81.85 -44.25 17.14 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.432 1.493 . . . . 0.0 114.124 -172.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -50.5 -26.62 5.36 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 119.033 2.975 . . . . 0.0 119.033 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -90.05 -12.72 37.67 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 170.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.55 -31.41 22.7 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 117.001 -1.476 . . . . 0.0 109.826 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.554 1.1 0 CA-C-O 114.366 -2.731 . . . . 0.0 114.772 -168.096 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 106.768 -1.568 . . . . 0.0 106.768 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.19 -34.32 66.12 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.19 -32.09 16.76 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 115.633 -2.127 . . . . 0.0 115.324 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.65 -34.97 79.04 Favored 'General case' 0 N--CA 1.507 2.393 0 CA-C-N 122.747 2.521 . . . . 0.0 115.086 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.07 -18.54 63.48 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 121.675 2.034 . . . . 0.0 115.339 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.45 -50.15 11.23 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 114.96 -2.448 . . . . 0.0 110.772 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.96 -37.25 29.7 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 122.886 2.585 . . . . 0.0 117.474 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.1 mtt -70.16 -45.84 65.91 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.683 2.038 . . . . 0.0 113.291 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -64.7 -20.49 66.35 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.17 -47.24 52.35 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 124.907 1.283 . . . . 0.0 113.869 169.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -65.78 -41.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.318 0 CA-C-O 116.415 -1.755 . . . . 0.0 110.465 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.54 -45.75 84.71 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 120.826 1.648 . . . . 0.0 114.394 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -65.53 -47.26 76.54 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 120.401 1.455 . . . . 0.0 114.729 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 m -70.24 -63.19 1.13 Allowed 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 115.455 -2.212 . . . . 0.0 110.07 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.36 -33.02 12.58 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.41 -43.35 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 116.332 -1.794 . . . . 0.0 113.861 169.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.74 -35.27 75.96 Favored 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 120.983 1.719 . . . . 0.0 114.939 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.09 -54.86 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 C-N-CA 125.838 1.655 . . . . 0.0 109.348 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -55.78 -43.33 76.69 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-N 120.426 1.466 . . . . 0.0 114.596 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 -30.48 71.38 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -70.23 -33.18 71.34 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.36 -46.47 73.27 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 117.169 -1.396 . . . . 0.0 114.001 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.07 -27.44 68.35 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 115.389 -2.243 . . . . 0.0 116.44 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.3 p -68.75 -31.38 70.39 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.944 2.156 . . . . 0.0 116.569 168.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.8 mm -74.36 -47.9 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 116.688 -1.625 . . . . 0.0 110.18 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.72 -44.06 97.1 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -63.12 -39.57 95.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.758 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.08 0 N-CA-C 118.82 2.896 . . . . 0.0 118.82 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.03 -36.74 84.08 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.624 1.712 . . . . 0.0 115.624 171.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.53 -20.33 65.41 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.56 -32.76 36.55 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 126.901 2.08 . . . . 0.0 109.644 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.257 15.9 mt -65.57 -50.21 73.22 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.927 0 C-N-CA 128.063 2.545 . . . . 0.0 107.552 166.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -52.89 -44.34 66.84 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 126.26 1.824 . . . . 0.0 114.564 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -61.41 -36.08 79.3 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 125.704 1.602 . . . . 0.0 114.886 168.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -63.38 -48.88 76.06 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 125.301 1.44 . . . . 0.0 113.54 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.82 75.34 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 169.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.31 -36.75 85.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.019 -1.943 . . . . 0.0 115.057 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -70.15 -32.48 70.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.9 m -72.04 -48.66 42.83 Favored 'General case' 0 CA--C 1.582 2.204 0 CA-C-O 117.254 -1.355 . . . . 0.0 112.014 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -69.27 -41.26 77.11 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.362 -1.78 . . . . 0.0 115.435 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -56.71 -42.16 78.66 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.113 1.779 . . . . 0.0 114.872 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.75 -33.33 73.72 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 117.53 -1.224 . . . . 0.0 113.423 168.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.84 -44.24 97.23 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 169.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.52 -46.8 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 C-N-CA 125.635 1.574 . . . . 0.0 110.016 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.39 -13.43 0.57 Allowed 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -108.0 -57.06 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 116.509 -1.71 . . . . 0.0 107.403 169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.4 tpt -58.73 -39.4 80.75 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 121.263 1.847 . . . . 0.0 115.51 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.9 p -68.28 -33.07 73.68 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 169.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -71.49 -40.74 70.0 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 116.843 -1.551 . . . . 0.0 112.917 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -64.77 -32.9 74.79 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.819 169.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -57.86 -43.45 85.94 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 120.41 1.459 . . . . 0.0 114.375 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.5 -25.73 60.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 169.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.2 m -58.7 -44.37 90.29 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 120.305 1.412 . . . . 0.0 114.404 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -69.5 -47.31 64.24 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.7 t -66.44 -48.54 69.63 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 115.418 -2.229 . . . . 0.0 114.499 170.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.49 -29.69 37.41 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.5 t80 . . . . . 0 CA--C 1.58 2.103 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 168.794 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 116.663 -1.637 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.78 -47.2 75.96 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.378 1.899 . . . . 0.0 114.788 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -80.95 -37.54 29.28 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.402 -1.761 . . . . 0.0 114.763 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.4 mtp -69.18 -38.71 78.81 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 116.096 -1.907 . . . . 0.0 113.579 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.11 -42.27 94.36 Favored 'General case' 0 N--CA 1.505 2.285 0 CA-C-N 121.63 2.014 . . . . 0.0 114.223 169.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.21 -30.67 71.59 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.506 1.503 . . . . 0.0 114.464 168.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.63 -46.73 88.53 Favored 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 116.473 -1.727 . . . . 0.0 115.337 170.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.05 -37.47 75.55 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.39 -42.25 91.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -67.26 -27.41 67.18 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.63 -47.54 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-O 116.274 -1.822 . . . . 0.0 111.534 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -56.68 -29.91 62.85 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.6 -31.23 52.82 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.687 1.13 . . . . 0.0 113.457 168.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.257 24.1 mt -62.76 -60.9 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.744 0 C-N-CA 124.797 1.239 . . . . 0.0 108.921 169.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -45.28 -33.88 2.62 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.52 65.94 Favored Glycine 0 CA--C 1.555 2.539 0 CA-C-O 118.305 -1.275 . . . . 0.0 114.621 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.34 -38.87 91.17 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.389 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.34 -48.84 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 C-N-CA 125.671 1.588 . . . . 0.0 111.409 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.68 -44.53 85.86 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 169.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -59.8 -27.25 66.42 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -73.21 -64.02 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.253 0 CA-C-O 115.325 -2.274 . . . . 0.0 106.776 169.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.19 26.36 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.39 -47.63 47.78 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 117.167 -1.397 . . . . 0.0 112.267 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -68.92 -41.94 77.46 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 116.454 -1.736 . . . . 0.0 113.873 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.7 -47.0 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.804 -2.046 . . . . 0.0 110.76 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.41 -34.33 72.33 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 121.364 1.893 . . . . 0.0 115.432 169.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.97 -47.8 76.3 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -46.56 -48.81 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.305 0 C-N-CA 125.209 1.404 . . . . 0.0 111.592 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.8 -29.27 70.59 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.252 -1.832 . . . . 0.0 115.622 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -78.07 -34.28 50.41 Favored 'General case' 0 N--CA 1.511 2.618 0 CA-C-N 120.504 1.502 . . . . 0.0 112.728 168.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.88 -42.74 60.28 Favored 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 125.948 1.699 . . . . 0.0 115.552 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -37.33 82.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 -168.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.1 m -89.98 -17.09 28.53 Favored 'General case' 0 N--CA 1.513 2.686 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 -23.0 22.64 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.596 168.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 mt . . . . . 0 CA--C 1.567 1.606 0 CA-C-O 114.605 -2.616 . . . . 0.0 112.659 -171.178 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.75 -36.4 64.77 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 169.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -75.74 -25.38 56.51 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-O 116.858 -1.544 . . . . 0.0 114.18 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.75 -32.61 71.89 Favored 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 120.98 1.718 . . . . 0.0 115.497 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.72 -22.49 66.06 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 117.521 -1.228 . . . . 0.0 114.098 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.69 -52.66 10.01 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 115.375 -2.25 . . . . 0.0 112.414 170.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -36.24 82.35 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 122.4 2.364 . . . . 0.0 116.848 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -66.49 -44.94 81.23 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.987 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -65.49 -24.68 67.21 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 168.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.54 -41.95 71.85 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.907 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.08 -39.36 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.546 0 CA-C-N 121.638 2.017 . . . . 0.0 110.505 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.72 -45.99 85.02 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-N 121.818 2.099 . . . . 0.0 114.602 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.77 -47.18 63.89 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.573 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -67.32 -49.57 63.61 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 115.791 -2.052 . . . . 0.0 112.957 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 -40.19 68.66 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 115.195 -2.336 . . . . 0.0 115.416 170.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -67.93 -34.49 76.7 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 121.33 1.877 . . . . 0.0 116.039 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -63.05 -42.75 99.78 Favored 'General case' 0 CA--C 1.582 2.179 0 CA-C-N 120.471 1.487 . . . . 0.0 114.468 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 p -79.36 -53.95 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.873 -1.537 . . . . 0.0 113.882 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.254 28.1 ptt180 -57.29 -43.89 83.57 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 120.623 1.556 . . . . 0.0 113.849 -172.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.6 m -69.88 -16.25 63.21 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -88.86 -36.99 15.68 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 120.478 1.49 . . . . 0.0 112.955 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.339 1.7 tt -62.25 -44.27 96.94 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 112.8 169.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -37.8 74.94 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 116.096 -1.906 . . . . 0.0 114.458 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 m -53.99 -28.56 38.56 Favored 'General case' 0 N--CA 1.505 2.275 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.0 mm -70.02 -46.51 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.423 0 CA-C-O 116.686 -1.626 . . . . 0.0 107.477 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -44.04 84.18 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 169.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.91 -42.86 94.8 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 172.034 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.882 1 N-CA-C 121.923 4.045 . . . . 0.0 121.923 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.09 -52.63 9.75 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.852 1.661 . . . . 0.0 113.905 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.64 -2.8 44.3 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -91.07 -47.28 7.64 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 125.31 1.444 . . . . 0.0 109.336 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.27 4.4 mt -51.81 -50.05 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 126.665 1.986 . . . . 0.0 111.56 168.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.84 -42.77 98.42 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 125.159 1.384 . . . . 0.0 114.076 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -67.07 -28.02 67.84 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 m -63.02 -48.18 79.87 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.177 1.353 . . . . 0.0 113.745 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -77.59 -45.11 26.23 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 115.353 -2.26 . . . . 0.0 113.502 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -47.46 -51.55 19.87 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 122.223 2.283 . . . . 0.0 115.208 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -73.03 -31.1 64.23 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -71.72 -46.98 56.94 Favored 'General case' 0 CA--C 1.582 2.202 0 CA-C-N 120.784 1.629 . . . . 0.0 112.399 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.41 -42.8 99.31 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 170.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -62.85 -32.47 73.7 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 116.998 -1.477 . . . . 0.0 114.879 168.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -61.19 -47.86 84.2 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 116.893 -1.527 . . . . 0.0 113.375 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -64.56 -25.05 67.81 Favored 'General case' 0 CA--C 1.578 2.038 0 CA-C-N 119.912 1.233 . . . . 0.0 114.24 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.92 -43.1 93.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 169.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.05 -43.06 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 C-N-CA 125.393 1.477 . . . . 0.0 110.282 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.57 -12.61 1.85 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.53 -59.98 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 CA-C-O 115.697 -2.097 . . . . 0.0 107.251 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mmm -63.29 -37.98 89.36 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.335 2.334 . . . . 0.0 114.985 -171.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -63.06 -28.05 69.82 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.88 -45.78 26.94 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 116.6 -1.667 . . . . 0.0 112.132 169.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -61.35 -26.02 67.54 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 169.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.84 -42.95 99.67 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.358 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.01 60.88 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.1 m -69.74 -47.43 63.06 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.482 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.09 -43.03 95.81 Favored 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 120.517 1.508 . . . . 0.0 114.514 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.9 m -66.94 -28.14 68.05 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 115.893 -2.003 . . . . 0.0 114.9 168.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.49 -31.22 70.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 169.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.503 2.181 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.283 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.95 -43.57 78.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.88 -39.22 30.94 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 116.474 -1.727 . . . . 0.0 114.419 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.5 mtp -69.35 -41.86 76.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-O 116.015 -1.945 . . . . 0.0 113.049 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.05 -41.36 74.93 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 121.413 1.915 . . . . 0.0 114.938 169.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.57 -39.12 93.16 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 120.034 1.288 . . . . 0.0 113.42 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -61.01 -41.54 96.74 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 116.31 -1.805 . . . . 0.0 115.652 169.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.5 -32.62 72.71 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.327 0.5 OUTLIER -73.31 -46.41 49.67 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 125.435 1.494 . . . . 0.0 114.665 176.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.67 -38.0 85.91 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -45.93 -44.07 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -62.13 -41.62 98.43 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.558 -1.687 . . . . 0.0 114.66 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.46 -31.46 69.77 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.48 -55.13 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 CA-C-O 116.443 -1.741 . . . . 0.0 108.586 169.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -44.43 -33.98 1.88 Allowed 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.12 48.04 Favored Glycine 0 CA--C 1.554 2.469 0 C-N-CA 124.893 1.235 . . . . 0.0 113.908 168.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.93 -27.19 69.2 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 116.513 -1.708 . . . . 0.0 115.096 168.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.58 -59.48 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.69 0 CA-C-O 116.633 -1.651 . . . . 0.0 109.014 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.65 -36.77 47.51 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 170.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -63.23 -21.59 66.32 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.56 -67.59 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.225 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.67 29.15 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 118.586 2.81 . . . . 0.0 118.586 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -76.51 -45.45 30.83 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.761 -1.59 . . . . 0.0 112.059 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.68 -43.71 71.95 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.95 1.705 . . . . 0.0 113.831 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.6 -46.13 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 C-N-CA 126.163 1.785 . . . . 0.0 110.82 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.59 -33.75 68.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 120.486 1.493 . . . . 0.0 113.943 168.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -66.76 -43.42 84.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 168.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -46.89 -46.54 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.184 0 C-N-CA 125.797 1.639 . . . . 0.0 112.455 169.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.64 -31.52 70.72 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-O 115.806 -2.045 . . . . 0.0 115.636 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.97 -25.74 61.11 Favored 'General case' 0 CA--C 1.586 2.335 0 CA-C-N 121.332 1.878 . . . . 0.0 112.62 168.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.24 -65.18 1.03 Allowed 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.442 1.897 . . . . 0.0 112.529 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -48.69 -38.55 21.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.0 t -82.19 -31.28 30.45 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.03 -16.95 57.64 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 122.011 2.187 . . . . 0.0 114.839 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.489 1.512 0 C-N-CA 127.548 2.339 . . . . 0.0 106.055 170.105 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 116.687 -1.625 . . . . 0.0 113.676 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.11 -37.41 71.92 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 120.621 1.555 . . . . 0.0 113.386 168.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.9 -13.74 59.78 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.333 -2.27 . . . . 0.0 114.954 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -48.65 66.62 Favored 'General case' 0 N--CA 1.507 2.386 0 CA-C-N 123.337 2.789 . . . . 0.0 113.928 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.86 -27.77 69.39 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -73.07 -52.8 12.97 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.336 -2.269 . . . . 0.0 112.976 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.12 -42.53 84.34 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 122.048 2.204 . . . . 0.0 115.959 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 mmt -66.14 -44.85 82.99 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 117.146 -1.406 . . . . 0.0 113.637 171.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -65.33 -25.83 67.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 168.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.18 -46.24 81.61 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 170.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 mt -69.91 -36.44 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 CA-C-O 116.27 -1.824 . . . . 0.0 110.684 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.39 -49.98 74.73 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 121.062 1.755 . . . . 0.0 113.512 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.36 -43.93 72.58 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 116.7 -1.619 . . . . 0.0 114.304 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 m -68.94 -49.92 53.84 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 115.672 -2.108 . . . . 0.0 112.907 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.58 89.7 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.147 -2.359 . . . . 0.0 114.654 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.91 -33.63 76.02 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 121.487 1.948 . . . . 0.0 115.998 170.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -61.5 -36.87 81.72 Favored 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 p -90.28 -53.72 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 125.658 1.583 . . . . 0.0 113.32 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -57.34 -42.24 81.55 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.053 1.297 . . . . 0.0 114.33 -170.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 m -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.48 -36.67 20.42 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.809 1.641 . . . . 0.0 112.307 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.31 1.3 tt -67.47 -38.56 84.6 Favored 'General case' 0 CA--C 1.583 2.234 0 C-N-CA 125.847 1.659 . . . . 0.0 112.319 169.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.9 -29.98 70.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 115.535 -2.174 . . . . 0.0 114.323 168.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -62.07 -22.29 65.66 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 121.747 2.067 . . . . 0.0 115.971 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.9 mm -77.12 -54.93 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 CA-C-O 115.879 -2.01 . . . . 0.0 108.044 169.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.61 -34.58 74.45 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-N 121.751 2.069 . . . . 0.0 116.113 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -63.11 -41.64 99.39 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.902 1.681 . . . . 0.0 114.882 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 173.458 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -37.4 54.74 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.439 HD12 HH21 ' A' ' 116' ' ' ARG . 15.1 tp -63.64 -33.45 75.65 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 125.799 1.64 . . . . 0.0 114.978 169.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -90.82 -38.45 12.96 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.661 1.584 . . . . 0.0 110.192 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 47.2 mt -51.7 -37.3 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.777 0 C-N-CA 127.623 2.369 . . . . 0.0 110.158 167.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.439 HH21 HD12 ' A' ' 113' ' ' LEU . 13.8 mtm180 -61.44 -46.94 87.97 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.658 1.583 . . . . 0.0 113.025 170.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -63.54 -23.16 67.27 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -63.58 -48.88 75.6 Favored 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.854 1.262 . . . . 0.0 113.503 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -76.08 -40.26 53.48 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 116.011 -1.947 . . . . 0.0 113.974 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.76 -35.06 79.34 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 115.751 -2.071 . . . . 0.0 115.842 170.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -36.01 75.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 169.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m -71.03 -45.73 63.38 Favored 'General case' 0 CA--C 1.583 2.234 0 CA-C-N 119.923 1.238 . . . . 0.0 111.89 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -47.31 86.67 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.664 1.585 . . . . 0.0 114.759 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.4 t -67.88 -45.7 73.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 115.925 -1.988 . . . . 0.0 114.971 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -52.6 -42.22 64.37 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 121.468 1.94 . . . . 0.0 114.813 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -68.05 -33.2 74.12 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 117.448 -1.263 . . . . 0.0 113.392 168.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -40.93 97.14 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 171.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.35 -38.82 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.926 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.82 -6.9 0.6 Allowed 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 169.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.14 -54.41 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 116.685 -1.626 . . . . 0.0 112.653 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.3 mmm -62.82 -40.9 98.82 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.048 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -63.75 -25.72 68.32 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 168.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.05 -41.78 49.67 Favored 'General case' 0 CA--C 1.573 1.843 0 CA-C-O 116.557 -1.687 . . . . 0.0 111.458 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.19 -31.57 63.56 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -64.35 -45.4 87.96 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 117.661 -1.161 . . . . 0.0 114.024 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.11 -15.43 62.97 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.507 167.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 43.5 m -69.45 -41.14 76.67 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 116.18 -1.867 . . . . 0.0 114.846 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.74 -39.29 70.17 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.553 -1.689 . . . . 0.0 114.803 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.2 t -75.64 -42.05 52.55 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.01 169.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.96 -8.01 40.55 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 121.279 1.854 . . . . 0.0 113.002 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.377 1.802 0 CA-C-O 116.366 -1.778 . . . . 0.0 111.873 167.623 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.96 -41.34 91.36 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 121.421 1.919 . . . . 0.0 115.964 -175.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -78.46 -38.58 40.79 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 116.691 -1.623 . . . . 0.0 114.332 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.0 -39.14 83.28 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.073 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.28 -41.86 85.28 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-N 120.472 1.487 . . . . 0.0 114.074 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.83 -33.35 75.79 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 117.187 -1.387 . . . . 0.0 113.919 168.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.55 -45.24 87.95 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 116.213 -1.851 . . . . 0.0 115.459 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -65.32 -34.34 78.09 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 121.144 1.793 . . . . 0.0 115.794 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.73 -45.54 71.24 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 126.459 1.904 . . . . 0.0 115.884 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.59 -38.14 77.22 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.68 -44.88 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.05 -31.0 72.04 Favored 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.53 -41.94 83.55 Favored 'General case' 0 CA--C 1.587 2.371 0 C-N-CA 124.485 1.114 . . . . 0.0 113.46 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 36.8 mt -54.19 -61.17 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 C-N-CA 127.51 2.324 . . . . 0.0 110.098 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -51.07 -29.04 11.88 Favored 'General case' 0 N--CA 1.517 2.907 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.55 -51.98 38.16 Favored Glycine 0 CA--C 1.556 2.602 0 CA-C-O 118.153 -1.36 . . . . 0.0 115.11 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.23 -40.22 89.44 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.1 mt -61.94 -45.24 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.769 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.498 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -49.4 -44.78 45.46 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-N 120.233 1.379 . . . . 0.0 114.279 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -64.56 -23.89 67.42 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.88 -64.11 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.287 0 CA-C-O 115.259 -2.305 . . . . 0.0 106.624 169.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -24.33 10.21 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 119.001 2.963 . . . . 0.0 119.001 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.53 -46.08 34.23 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.862 -1.542 . . . . 0.0 112.277 169.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.18 -44.26 76.31 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 116.435 -1.745 . . . . 0.0 114.121 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.38 -47.68 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 CA-C-O 116.51 -1.71 . . . . 0.0 110.73 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.35 -35.38 67.58 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 120.628 1.558 . . . . 0.0 114.086 169.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' HE ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -68.35 -38.15 81.18 Favored 'General case' 0 CA--C 1.577 1.986 0 CA-C-O 117.115 -1.421 . . . . 0.0 113.786 168.614 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 78' ' ' LEU . 43.6 t -49.43 -53.65 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 CA-C-O 116.74 -1.6 . . . . 0.0 109.829 169.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -62.83 -27.63 69.46 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HE ' ' HG2' ' A' ' 53' ' ' GLU . 35.9 ptt180 -75.32 -29.3 59.97 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-N 120.605 1.548 . . . . 0.0 112.931 168.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -79.09 -70.57 0.49 Allowed 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 124.409 1.084 . . . . 0.0 112.211 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -25.83 5.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.225 3.046 . . . . 0.0 119.225 -169.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 m -90.82 -34.05 15.45 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 116.119 -1.896 . . . . 0.0 115.538 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 120.94 1.7 . . . . 0.0 114.993 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 116.104 -1.903 . . . . 0.0 108.816 173.691 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 118.641 -0.695 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.75 -34.23 1.48 Allowed 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.23 -25.83 52.03 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 117.198 -1.382 . . . . 0.0 114.139 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.08 -37.52 74.64 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 121.042 1.747 . . . . 0.0 115.553 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.36 -20.54 65.6 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 168.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.52 -57.44 3.82 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 116.592 -1.671 . . . . 0.0 111.937 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -63.7 -29.65 70.85 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 174.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtt -71.61 -55.47 7.7 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 116.326 -1.797 . . . . 0.0 112.118 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 t -55.86 -25.59 42.99 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 117.574 2.435 . . . . 0.0 117.574 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.54 -46.22 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.76 -43.85 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 CA-C-O 114.999 -2.429 . . . . 0.0 110.045 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -63.66 -37.19 86.42 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 122.818 2.553 . . . . 0.0 114.837 170.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -68.16 -46.44 70.77 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.351 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.8 m -72.4 -61.0 1.95 Allowed 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 114.901 -2.476 . . . . 0.0 109.761 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.57 24.05 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 123.688 2.949 . . . . 0.0 117.631 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -71.31 -44.08 65.83 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 117.506 -1.235 . . . . 0.0 112.291 168.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.17 -38.54 71.04 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 168.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.69 -51.75 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 C-N-CA 126.064 1.746 . . . . 0.0 110.673 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -55.94 -39.95 72.47 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -67.48 -18.33 65.02 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.29 -47.28 11.68 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 115.788 -2.053 . . . . 0.0 111.888 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.307 0.7 OUTLIER -68.61 -28.69 67.14 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 122.047 2.203 . . . . 0.0 115.613 169.705 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.9 -26.37 66.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.541 -2.647 . . . . 0.0 114.728 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.4 m -61.43 -24.31 66.44 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 123.189 2.722 . . . . 0.0 114.876 167.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.43 -49.87 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.133 0 C-N-CA 126.631 1.972 . . . . 0.0 109.254 169.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.63 -36.99 74.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.258 1.844 . . . . 0.0 115.662 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.4 -38.62 77.74 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.164 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -51.87 -40.08 60.02 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 169.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.82 -22.37 66.01 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 169.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.66 -41.98 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.733 1.613 . . . . 0.0 109.642 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.5 mt -50.07 -41.24 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.509 0 C-N-CA 128.281 2.632 . . . . 0.0 111.584 168.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -59.35 -43.65 92.77 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.198 1.399 . . . . 0.0 114.099 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -63.16 -39.47 94.75 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 168.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.3 m -60.22 -44.77 94.91 Favored 'General case' 0 CA--C 1.577 1.982 0 C-N-CA 124.931 1.292 . . . . 0.0 113.991 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -77.01 -42.91 36.69 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 115.275 -2.298 . . . . 0.0 113.512 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.78 -36.34 82.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 122.782 2.537 . . . . 0.0 115.76 172.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.9 m -69.38 -39.9 77.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.8 m -69.87 -44.55 69.57 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 120.817 1.644 . . . . 0.0 113.129 169.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.97 -44.29 91.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-O 116.75 -1.595 . . . . 0.0 113.914 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.5 m -70.02 -25.68 63.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 169.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -68.68 -41.72 78.84 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.5 1.5 . . . . 0.0 114.671 170.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -73.15 -36.66 66.69 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.53 1.514 . . . . 0.0 113.296 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.1 -36.43 84.01 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.5 p -69.66 -44.61 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.721 1.6 . . . . 0.0 113.897 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.37 -29.09 47.33 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.78 -55.09 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 CA-C-O 115.542 -2.171 . . . . 0.0 108.388 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.5 tpt -62.98 -43.36 99.01 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 122.341 2.337 . . . . 0.0 114.335 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -66.37 -30.59 71.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.23 -39.2 71.83 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.036 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.77 -39.94 93.42 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.04 -40.52 76.94 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 169.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.27 61.27 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 169.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.3 m -65.34 -46.91 78.38 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.597 1.544 . . . . 0.0 113.674 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -73.56 -46.49 47.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.463 -1.732 . . . . 0.0 113.973 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.6 m -64.66 -36.3 83.81 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.23 -32.68 69.06 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.958 -1.496 . . . . 0.0 114.547 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.2 t80 . . . . . 0 N--CA 1.499 2.008 0 CA-C-N 119.939 1.245 . . . . 0.0 113.772 169.364 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.38 -42.0 93.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 120.873 1.67 . . . . 0.0 115.249 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -81.54 -39.02 25.28 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.587 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mtp -71.26 -43.02 68.03 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 115.878 -2.01 . . . . 0.0 112.755 169.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -56.29 -38.64 71.49 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.737 2.062 . . . . 0.0 115.044 169.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.54 -39.83 92.18 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 116.939 -1.505 . . . . 0.0 113.183 169.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.18 -42.87 87.0 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.79 -45.79 70.37 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.33 -38.45 86.95 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 116.817 2.155 . . . . 0.0 116.817 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -70.73 -35.86 72.91 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.19 -48.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 CA-C-O 116.641 -1.647 . . . . 0.0 113.816 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -60.18 -26.7 66.54 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -43.44 64.75 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.474 169.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.271 18.8 mt -60.74 -54.36 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.861 0 C-N-CA 126.041 1.737 . . . . 0.0 110.546 171.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -53.24 -31.41 43.2 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 169.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -50.07 66.21 Favored Glycine 0 CA--C 1.553 2.407 0 CA-C-O 118.17 -1.35 . . . . 0.0 115.332 168.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.34 -43.23 99.22 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-O 116.779 -1.581 . . . . 0.0 113.358 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.67 -46.78 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 C-N-CA 125.794 1.637 . . . . 0.0 111.032 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -50.5 -46.43 57.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -70.16 -21.49 63.06 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 116.478 -1.725 . . . . 0.0 115.235 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.41 -56.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.942 0 CA-C-O 115.096 -2.383 . . . . 0.0 107.915 169.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.47 -35.05 78.1 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 122.568 2.44 . . . . 0.0 116.782 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -68.01 -43.13 79.53 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.74 -1.6 . . . . 0.0 112.489 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.72 -45.16 65.43 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.021 -1.942 . . . . 0.0 113.232 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.265 0.3 OUTLIER -61.41 -47.94 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-N 120.56 1.527 . . . . 0.0 114.495 177.812 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -57.44 -32.91 67.37 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 124.814 1.246 . . . . 0.0 113.085 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 12.5 tt0 -66.83 -47.43 72.0 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 168.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.9 t -44.77 -48.34 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.855 0 C-N-CA 125.445 1.498 . . . . 0.0 111.953 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.85 -26.19 68.22 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.301 -2.285 . . . . 0.0 116.075 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 36.3 ptt180 -80.35 -30.29 37.98 Favored 'General case' 0 N--CA 1.509 2.479 0 CA-C-N 121.944 2.156 . . . . 0.0 113.487 169.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -77.7 -43.36 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.881 2.128 . . . . 0.0 114.287 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -51.01 -30.76 16.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 119.261 3.06 . . . . 0.0 119.261 174.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -82.0 -45.2 15.65 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 116.034 -1.936 . . . . 0.0 114.37 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.59 66.62 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 118.787 2.884 . . . . 0.0 118.787 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 75' ' ' LEU 0.269 39.9 mt . . . . . 0 N--CA 1.503 2.219 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -37.63 -43.92 0.66 Allowed 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -90.03 -25.97 20.54 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.558 -2.163 . . . . 0.0 114.41 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 HD13 ' A' ' 61' ' ' ILE . 96.2 mt -64.16 -35.41 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 122.429 2.377 . . . . 0.0 116.088 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.18 -22.45 66.95 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 168.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.33 -56.95 4.11 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-O 115.15 -2.357 . . . . 0.0 111.799 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -31.59 72.55 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.7 mtt -72.93 -47.09 48.63 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 116.856 -1.545 . . . . 0.0 112.156 170.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -65.79 -16.8 64.13 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.24 -45.85 21.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 115.899 -2.0 . . . . 0.0 113.279 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.12 -44.94 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 121.996 2.18 . . . . 0.0 109.91 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -47.97 -52.83 18.15 Favored 'General case' 0 CA--C 1.59 2.494 0 CA-C-N 123.093 2.679 . . . . 0.0 114.024 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.87 -47.16 66.61 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 117.139 -1.41 . . . . 0.0 114.731 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -56.05 8.39 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 115.548 -2.167 . . . . 0.0 111.384 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.75 -39.4 24.8 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 121.243 1.838 . . . . 0.0 115.741 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.91 -38.38 69.93 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.387 -1.768 . . . . 0.0 115.476 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -62.96 -41.5 99.55 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.874 1.67 . . . . 0.0 114.521 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.96 -52.48 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.225 0 CA-C-O 116.206 -1.854 . . . . 0.0 113.13 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.44 -44.62 92.88 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 121.378 1.899 . . . . 0.0 114.027 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.4 m -60.13 -24.17 64.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 168.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.63 -47.86 14.72 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.245 -1.836 . . . . 0.0 113.966 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.3 -20.51 63.01 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 121.229 1.831 . . . . 0.0 114.353 169.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.276 17.2 tptm -60.2 -51.3 70.17 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-O 116.147 -1.882 . . . . 0.0 111.547 168.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -51.47 -23.28 3.8 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.43 -53.52 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 115.871 -2.014 . . . . 0.0 109.347 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.33 -33.87 75.53 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 121.539 1.972 . . . . 0.0 115.446 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -64.84 -43.62 92.43 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 117.58 2.437 . . . . 0.0 117.58 175.898 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 125.151 2.405 . . . . 0.0 106.612 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -171.59 -51.89 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.499 0 C-N-CA 129.811 3.245 . . . . 0.0 103.903 -169.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -27.08 67.49 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.358 2.263 . . . . 0.0 112.539 166.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -90.05 -44.69 9.66 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 128.257 2.623 . . . . 0.0 108.417 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.26 -50.2 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.674 0 C-N-CA 127.95 2.5 . . . . 0.0 110.554 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -64.26 -39.46 93.99 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.707 1.603 . . . . 0.0 113.371 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -66.85 -33.1 74.85 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.615 167.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.5 m -58.22 -42.43 86.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -71.57 -44.82 63.81 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.649 -2.12 . . . . 0.0 113.819 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -61.07 -34.45 74.93 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 122.028 2.194 . . . . 0.0 115.924 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.9 m -69.18 -40.22 78.25 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m -69.33 -43.57 73.42 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-N 120.728 1.604 . . . . 0.0 113.088 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.78 -47.52 82.31 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 125.743 1.617 . . . . 0.0 112.761 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.8 t -63.82 -39.86 95.24 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 116.4 -1.762 . . . . 0.0 115.294 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.88 -44.15 77.85 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 120.845 1.657 . . . . 0.0 115.314 173.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -72.57 -27.53 62.25 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.402 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 169.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.2 t -77.73 -44.6 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.754 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.95 -9.68 1.45 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 169.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.7 -66.97 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 CA-C-O 116.108 -1.901 . . . . 0.0 108.107 172.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.2 mmm -63.44 -46.21 87.32 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.895 2.134 . . . . 0.0 113.37 -169.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -21.59 66.75 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 168.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.32 -45.26 40.76 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.396 168.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.99 -35.59 75.34 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 168.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -48.96 -40.56 30.89 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.946 1.298 . . . . 0.0 114.274 168.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.19 52.29 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.427 168.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.9 m -65.67 -48.99 70.25 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.046 1.748 . . . . 0.0 113.584 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -70.31 -46.52 64.1 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.144 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m -71.75 -29.59 64.67 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.84 -17.53 58.93 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 121.241 1.837 . . . . 0.0 113.145 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.492 1.649 0 CA-C-N 120.54 1.518 . . . . 0.0 112.338 169.532 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.566 1.583 0 CA-C-O 116.751 -1.595 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -69.45 -32.63 71.68 Favored 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -62.63 -44.26 96.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mmm -67.03 -37.83 84.82 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.771 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -55.1 -40.64 70.66 Favored 'General case' 0 N--CA 1.505 2.302 0 CA-C-O 117.312 -1.327 . . . . 0.0 114.467 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.71 -37.38 84.58 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.25 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.78 -41.11 97.31 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 116.265 -1.826 . . . . 0.0 115.588 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -68.15 -33.74 75.04 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.31 0.0 OUTLIER -72.7 -45.2 60.01 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 177.363 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.53 -39.63 85.05 Favored 'General case' 0 N--CA 1.503 2.225 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -44.92 -45.3 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.906 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.55 -41.44 97.37 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 116.422 -1.752 . . . . 0.0 114.651 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.0 -26.65 65.12 Favored 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 168.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 21.5 mt -66.7 -54.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.849 0 C-N-CA 125.311 1.444 . . . . 0.0 109.46 169.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -50.04 -34.36 21.15 Favored 'General case' 0 N--CA 1.511 2.604 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.52 58.14 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 124.928 1.252 . . . . 0.0 115.118 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.23 -33.92 76.53 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 116.374 -1.774 . . . . 0.0 114.802 168.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.73 -54.54 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 CA-C-O 116.707 -1.616 . . . . 0.0 109.558 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.81 -45.12 39.89 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.72 -17.51 35.33 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 169.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.9 mm -80.06 -66.14 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 CA-C-O 115.353 -2.26 . . . . 0.0 105.491 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.87 5.02 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.2 -43.34 34.06 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.264 -1.35 . . . . 0.0 113.231 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.88 -40.0 95.51 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.258 -1.83 . . . . 0.0 114.855 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -48.58 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 CA-C-O 116.324 -1.798 . . . . 0.0 110.243 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.75 -33.13 33.58 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 120.942 1.701 . . . . 0.0 115.297 169.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.23 -38.68 71.96 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 117.261 -1.352 . . . . 0.0 113.527 168.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.9 -41.79 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 CA-C-O 116.395 -1.764 . . . . 0.0 112.474 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -33.15 74.48 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 115.343 -2.265 . . . . 0.0 115.658 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -70.01 -28.43 65.49 Favored 'General case' 0 N--CA 1.516 2.856 0 CA-C-N 122.153 2.252 . . . . 0.0 113.795 168.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -74.1 -70.37 0.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.241 1.417 . . . . 0.0 111.617 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -49.43 -23.25 1.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 119.257 3.058 . . . . 0.0 119.257 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -90.82 -38.26 13.09 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.708 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.82 -26.33 44.21 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.253 1.842 . . . . 0.0 114.942 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.567 1.613 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.829 178.293 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt . . . . . 0 N--CA 1.5 2.066 0 CA-C-O 116.011 -1.947 . . . . 0.0 114.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.86 -33.28 35.65 Favored 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 122.5 2.409 . . . . 0.0 115.288 169.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -73.43 -23.15 60.09 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 115.98 -1.962 . . . . 0.0 114.223 168.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.5 mt -56.5 -33.26 65.83 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.11 2.232 . . . . 0.0 115.579 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.62 -28.86 69.9 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.58 -53.2 9.85 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 115.946 -1.978 . . . . 0.0 112.525 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.11 -28.53 69.5 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.1 mtt -72.01 -45.19 61.85 Favored 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 116.945 -1.502 . . . . 0.0 112.554 169.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.97 -26.41 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.63 -43.41 72.74 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 116.448 -1.739 . . . . 0.0 115.086 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.57 -39.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 CA-C-O 115.882 -2.009 . . . . 0.0 110.269 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -59.45 -43.85 93.07 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-N 121.65 2.023 . . . . 0.0 114.504 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.38 -47.4 67.47 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.446 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.7 m -69.06 -50.05 51.94 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.785 175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.04 -41.8 68.47 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 115.313 -2.279 . . . . 0.0 115.245 172.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -69.01 -36.37 77.7 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 121.164 1.802 . . . . 0.0 115.755 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -35.16 75.24 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.12 -52.95 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 125.882 1.673 . . . . 0.0 114.078 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -59.15 -43.11 92.03 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.975 1.31 . . . . 0.0 114.077 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.0 m -66.62 -22.89 66.11 Favored 'General case' 0 CA--C 1.563 1.469 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -88.05 -32.59 18.69 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.471 1.487 . . . . 0.0 113.065 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.305 0.9 OUTLIER -68.81 -44.1 74.23 Favored 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 125.493 1.517 . . . . 0.0 112.922 169.777 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -33.86 60.45 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 116.504 -1.712 . . . . 0.0 114.671 169.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.5 t -56.19 -26.32 50.37 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 168.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.33 -49.93 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.257 0 CA-C-O 116.328 -1.796 . . . . 0.0 107.462 168.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.96 -42.34 68.82 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 169.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -58.41 -40.25 81.96 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 118.013 2.598 . . . . 0.0 118.013 173.266 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 116.917 -1.516 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.39 -38.43 63.37 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 169.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.61 -30.97 63.84 Favored 'General case' 0 N--CA 1.507 2.416 0 C-N-CA 125.942 1.697 . . . . 0.0 114.885 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.2 -36.04 15.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.094 1.758 . . . . 0.0 109.715 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.13 -43.87 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.515 0 C-N-CA 127.403 2.281 . . . . 0.0 110.514 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -58.07 -41.28 83.03 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.769 1.228 . . . . 0.0 114.092 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -33.34 62.9 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 171.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.5 m -49.5 -41.01 39.67 Favored 'General case' 0 CA--C 1.586 2.33 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -79.46 -41.61 27.16 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.159 -1.877 . . . . 0.0 114.029 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -56.31 -47.14 79.29 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 121.816 2.098 . . . . 0.0 115.574 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.5 m -68.98 -30.17 68.53 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.3 m -73.68 -50.27 21.73 Favored 'General case' 0 CA--C 1.583 2.236 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.428 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.7 -40.53 95.53 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.972 -1.966 . . . . 0.0 115.311 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -66.57 -43.03 86.11 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 116.338 -1.792 . . . . 0.0 115.115 171.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -53.11 -43.68 67.04 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.826 1.648 . . . . 0.0 114.129 169.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -70.31 -29.38 66.09 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.635 -1.174 . . . . 0.0 113.925 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.54 -37.18 85.98 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.34 -45.09 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 125.509 1.523 . . . . 0.0 109.949 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -55.2 -11.0 0.63 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -106.91 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 CA-C-O 115.994 -1.955 . . . . 0.0 106.764 170.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 32.3 mmt -55.0 -38.06 67.39 Favored 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 122.162 2.255 . . . . 0.0 115.793 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -68.27 -32.16 72.12 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 169.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.63 -47.79 62.21 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 125.168 1.387 . . . . 0.0 112.527 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -55.38 -29.3 58.19 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.67 -47.94 68.06 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 117.234 -1.365 . . . . 0.0 114.107 169.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.78 -14.67 63.18 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 168.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.6 m -71.43 -49.58 40.26 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.669 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.25 -42.88 65.12 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 116.555 -1.688 . . . . 0.0 114.286 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.7 m -65.07 -39.8 93.76 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.2 -25.16 66.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 120.612 1.551 . . . . 0.0 115.018 169.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.8 t80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.079 -1.439 . . . . 0.0 113.72 169.458 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 116.447 -1.74 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -64.49 -43.44 94.13 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 115.937 1.828 . . . . 0.0 115.937 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.39 -43.46 50.02 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.6 mmm -72.04 -38.76 69.47 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 116.577 -1.678 . . . . 0.0 112.605 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.58 -39.03 75.83 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 115.843 -2.027 . . . . 0.0 115.121 169.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.9 -40.79 83.42 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 121.599 2.0 . . . . 0.0 114.353 168.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.29 -47.9 80.29 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 170.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -70.95 -43.17 68.71 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 116.369 -1.777 . . . . 0.0 114.809 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.92 -41.1 78.63 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -45.41 -41.52 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 171.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.65 -37.82 87.89 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.56 -27.0 60.32 Favored 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 168.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.29 25.5 mt -63.14 -59.01 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 C-N-CA 126.725 2.01 . . . . 0.0 109.215 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -46.53 -31.33 2.7 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 122.041 2.2 . . . . 0.0 116.818 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.66 33.46 Favored Glycine 0 CA--C 1.552 2.386 0 CA-C-O 117.905 -1.497 . . . . 0.0 115.361 168.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -60.99 -33.57 73.44 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.422 -1.752 . . . . 0.0 115.293 169.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.9 -52.74 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.677 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.852 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -47.59 -41.25 21.24 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 169.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -64.57 -23.64 67.33 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -68.74 -53.51 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.952 0 CA-C-O 115.355 -2.259 . . . . 0.0 109.006 169.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.49 -36.52 82.78 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.013 2.188 . . . . 0.0 116.144 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.77 -44.49 81.23 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 116.706 -1.616 . . . . 0.0 113.056 169.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.88 -42.28 77.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 116.422 -1.751 . . . . 0.0 114.242 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.253 0.9 OUTLIER -63.84 -48.68 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 CA-C-N 120.245 1.384 . . . . 0.0 113.967 179.019 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.14 -33.73 69.49 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.487 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.87 -45.55 85.57 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -50.85 -44.96 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.953 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.261 168.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -60.15 -32.91 71.48 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.66 -35.54 62.82 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 120.074 1.306 . . . . 0.0 113.29 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.82 -40.21 33.5 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -35.53 81.0 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 -174.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -76.27 -48.43 20.22 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 116.449 -1.738 . . . . 0.0 115.17 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 169.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.9 mt . . . . . 0 CA--C 1.581 2.159 0 CA-C-O 116.066 -1.921 . . . . 0.0 108.832 170.602 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 116.892 -1.528 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -55.45 -31.37 61.89 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 169.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.85 -28.92 62.81 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 115.383 -2.246 . . . . 0.0 115.226 169.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.18 -39.87 95.89 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 122.784 2.538 . . . . 0.0 115.343 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.86 -25.99 67.87 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 116.905 -1.522 . . . . 0.0 113.954 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -70.94 -51.52 25.36 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-O 115.035 -2.412 . . . . 0.0 112.633 170.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.75 -36.98 85.1 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.443 2.383 . . . . 0.0 117.306 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.2 mtt -72.13 -43.53 64.55 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 116.956 -1.497 . . . . 0.0 113.306 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -66.12 -20.43 66.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.32 -49.52 22.59 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 117.24 -1.362 . . . . 0.0 114.019 169.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.74 -39.78 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.369 0 CA-C-O 116.444 -1.741 . . . . 0.0 110.085 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -57.64 -52.64 64.59 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 121.041 1.746 . . . . 0.0 113.795 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -69.9 -43.16 72.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 116.63 -1.652 . . . . 0.0 114.624 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.5 m -70.54 -60.39 2.29 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 114.232 -2.794 . . . . 0.0 110.311 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -36.5 45.59 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 123.082 2.674 . . . . 0.0 115.666 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -69.0 -39.71 79.18 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 116.28 -1.819 . . . . 0.0 115.375 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.24 -39.49 69.8 Favored 'General case' 0 CA--C 1.588 2.437 0 CA-C-N 121.446 1.93 . . . . 0.0 114.865 169.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . 0.255 11.7 p -90.41 -53.18 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.323 0 C-N-CA 126.78 2.032 . . . . 0.0 113.509 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.25 16.0 ptt180 -58.28 -46.51 85.92 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 120.621 1.555 . . . . 0.0 112.571 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 t -60.21 -18.99 52.23 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 167.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -73.05 -35.29 66.68 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 124.053 0.941 . . . . 0.0 110.612 168.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.62 -38.11 83.66 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.692 167.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -55.73 -29.26 59.22 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 115.634 -2.127 . . . . 0.0 116.309 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -69.3 -23.58 63.83 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 120.809 1.64 . . . . 0.0 114.662 167.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.7 mm -81.05 -49.7 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 C-N-CA 126.714 2.006 . . . . 0.0 109.695 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.92 -38.59 73.06 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.72 -38.19 72.0 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 173.673 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.585 2.298 0 N-CA-C 100.93 -3.73 . . . . 0.0 100.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.76 -37.51 0.3 Allowed 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 128.883 2.873 . . . . 0.0 114.732 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.82 -34.89 78.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 129.048 2.939 . . . . 0.0 113.341 168.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -87.68 -32.23 19.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.208 1.803 . . . . 0.0 110.051 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.254 22.3 mt -57.8 -48.89 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 C-N-CA 127.951 2.5 . . . . 0.0 109.845 167.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.72 -44.8 86.2 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 125.606 1.562 . . . . 0.0 113.971 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.12 -34.35 76.18 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 125.594 1.558 . . . . 0.0 115.061 168.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -62.09 -47.05 86.37 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 124.861 1.264 . . . . 0.0 113.842 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -83.32 -36.41 24.46 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 115.401 -2.237 . . . . 0.0 115.68 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.09 -37.09 76.31 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 122.737 2.517 . . . . 0.0 116.26 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.1 m -70.75 -40.12 72.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 116.025 -1.941 . . . . 0.0 115.919 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.7 m -69.0 -43.06 75.62 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 121.253 1.842 . . . . 0.0 113.027 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.19 -52.39 65.77 Favored 'General case' 0 CA--C 1.581 2.151 0 C-N-CA 125.611 1.564 . . . . 0.0 112.704 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -61.05 -40.54 94.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.254 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -53.51 -43.33 68.2 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 125.646 1.578 . . . . 0.0 113.965 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -60.34 -34.61 74.08 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.554 169.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -69.25 -37.43 77.93 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 116.095 -1.907 . . . . 0.0 115.828 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.69 -37.12 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 121.684 2.038 . . . . 0.0 111.496 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.39 -5.9 2.85 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.4 t -131.77 -43.9 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 114.921 -2.466 . . . . 0.0 111.239 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -46.34 75.41 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 123.627 2.922 . . . . 0.0 114.048 173.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 t -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.512 2.042 . . . . 0.0 116.512 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.98 -47.3 25.53 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.793 1.637 . . . . 0.0 111.963 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -57.08 -30.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -51.52 -38.18 52.88 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 117.51 -1.233 . . . . 0.0 114.147 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.42 76.71 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 91.3 m -73.82 -56.77 4.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.363 1.438 . . . . 0.0 112.018 174.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -59.9 -35.46 74.91 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.2 t -74.89 -47.3 30.73 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 114.739 -2.553 . . . . 0.0 112.392 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.61 -17.23 7.94 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 122.557 2.435 . . . . 0.0 117.106 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 CA--C 1.579 2.073 0 CA-C-N 121.528 1.967 . . . . 0.0 114.412 168.497 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 116.533 -1.698 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -67.3 -44.79 78.37 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.221 1.828 . . . . 0.0 115.218 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.81 -39.75 26.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 116.615 -1.66 . . . . 0.0 114.37 -175.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.2 mtp -67.89 -38.93 83.61 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-O 116.269 -1.824 . . . . 0.0 113.441 169.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.78 -44.46 86.24 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 121.171 1.805 . . . . 0.0 114.332 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.03 -35.24 78.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 120.284 1.402 . . . . 0.0 113.868 169.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.88 -39.76 94.94 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 116.303 -1.808 . . . . 0.0 115.511 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -64.94 -42.7 94.43 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.958 1.708 . . . . 0.0 115.596 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.5 -42.86 82.18 Favored 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 126.499 1.92 . . . . 0.0 116.113 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.8 -34.71 72.03 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.18 -45.61 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.837 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.569 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.45 -24.89 58.36 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.06 -43.94 50.47 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 124.415 1.086 . . . . 0.0 111.515 169.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.262 22.6 mt -57.5 -59.27 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 125.713 1.605 . . . . 0.0 109.769 172.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -44.49 -34.41 2.07 Favored 'General case' 0 N--CA 1.51 2.531 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.78 -50.4 68.11 Favored Glycine 0 CA--C 1.555 2.59 0 CA-C-O 118.509 -1.162 . . . . 0.0 114.203 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.97 -33.96 77.28 Favored 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 116.789 -1.577 . . . . 0.0 114.971 168.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.81 -54.66 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.045 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -37.47 71.88 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 172.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -64.62 -34.91 79.37 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.982 -1.961 . . . . 0.0 115.648 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.31 -60.92 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.127 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.35 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.0 63.89 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 123.224 2.738 . . . . 0.0 118.13 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.77 -47.58 25.3 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.909 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -67.3 -42.8 83.13 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 116.903 -1.523 . . . . 0.0 114.054 174.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.39 -47.25 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 115.872 -2.013 . . . . 0.0 110.322 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.12 -34.89 68.82 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-N 121.473 1.942 . . . . 0.0 114.826 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -69.67 -31.89 70.21 Favored 'General case' 0 CA--C 1.584 2.261 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.158 168.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.69 -53.44 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.114 0 CA-C-O 116.022 -1.942 . . . . 0.0 110.091 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -62.0 -23.02 66.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -77.12 -37.24 54.51 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 120.446 1.475 . . . . 0.0 112.312 168.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -68.13 -56.14 9.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -49.68 -21.92 1.19 Allowed 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 119.011 2.967 . . . . 0.0 119.011 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.2 m -88.01 -48.91 7.4 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 116.484 -1.722 . . . . 0.0 113.614 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.21 65.04 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.256 35.8 mt . . . . . 0 N--CA 1.508 2.441 0 CA-C-O 116.679 -1.629 . . . . 0.0 107.892 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 116.616 -1.659 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.6 -37.13 26.5 Favored 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 121.078 1.763 . . . . 0.0 115.437 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.42 -29.4 59.72 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.814 -2.041 . . . . 0.0 114.919 169.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.61 -41.22 98.33 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-N 121.731 2.06 . . . . 0.0 115.007 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.41 -22.36 63.69 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.589 -1.672 . . . . 0.0 113.655 168.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.29 -57.63 3.77 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.435 -2.222 . . . . 0.0 111.828 170.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.42 -30.0 70.91 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtt -73.81 -55.56 6.07 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 116.578 -1.677 . . . . 0.0 110.674 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -54.15 -30.06 47.78 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 169.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.16 -39.83 78.54 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.625 -1.655 . . . . 0.0 114.739 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.13 -41.51 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 CA-C-O 113.885 -2.959 . . . . 0.0 109.934 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -45.08 92.35 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 125.073 3.578 . . . . 0.0 114.04 169.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -71.41 -43.95 65.82 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 116.725 -1.607 . . . . 0.0 114.669 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.6 m -71.17 -54.74 9.97 Favored 'General case' 0 CA--C 1.576 1.95 0 CA-C-O 114.824 -2.512 . . . . 0.0 111.12 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.24 -40.49 34.16 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-N 122.324 2.329 . . . . 0.0 115.455 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -71.28 -42.85 68.21 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.138 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -55.09 -35.21 64.36 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 169.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.13 -53.01 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 C-N-CA 126.004 1.722 . . . . 0.0 112.993 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -59.9 -45.08 93.66 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-N 120.596 1.544 . . . . 0.0 113.909 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -65.41 -24.22 67.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -81.99 -39.13 24.05 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.54 1.518 . . . . 0.0 112.622 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.352 0.8 OUTLIER -62.91 -48.89 76.98 Favored 'General case' 0 CA--C 1.589 2.456 0 C-N-CA 125.442 1.497 . . . . 0.0 111.719 169.327 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.264 20.8 tptm -54.41 -35.53 63.0 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.387 -1.446 . . . . 0.0 113.004 167.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -63.39 -20.45 65.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.83 -60.61 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 115.778 -2.058 . . . . 0.0 107.491 168.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.76 0.5 23.42 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -82.81 -25.23 32.9 Favored 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 164.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 CA--C 1.567 1.62 0 N-CA-C 120.784 3.624 . . . . 0.0 120.784 -178.443 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -38.31 90.57 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.46 -29.78 70.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.215 1.406 . . . . 0.0 114.186 169.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -90.01 -38.31 13.71 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.632 1.573 . . . . 0.0 110.065 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.269 49.7 mt -51.18 -47.84 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 C-N-CA 127.645 2.378 . . . . 0.0 110.406 167.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -58.25 -42.76 87.12 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 125.289 1.435 . . . . 0.0 114.684 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.42 -30.64 71.05 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.6 m -63.56 -46.54 85.45 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.249 1.42 . . . . 0.0 113.652 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -71.83 -40.78 68.86 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 116.534 -1.698 . . . . 0.0 114.004 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -60.67 -47.9 84.19 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 120.712 1.596 . . . . 0.0 115.135 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.1 t -69.92 -34.1 73.04 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -73.76 -46.37 46.06 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.829 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.22 -43.72 87.86 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 120.69 1.586 . . . . 0.0 114.357 169.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.2 t -63.38 -28.38 69.95 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -67.65 -40.95 84.53 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 124.96 1.304 . . . . 0.0 114.021 169.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -72.9 -34.05 66.4 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.06 1.3 . . . . 0.0 112.255 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.74 -42.47 93.26 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.69 -44.12 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.043 0 CA-C-O 117.127 -1.416 . . . . 0.0 114.216 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.54 -35.18 53.01 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.04 1.866 . . . . 0.0 116.04 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.7 p -90.43 -54.98 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.126 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.184 174.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.6 tpp -60.86 -42.27 97.52 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 121.292 1.86 . . . . 0.0 114.397 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.0 m -65.71 -27.8 68.6 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 168.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.49 -45.25 55.12 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.332 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.67 -35.2 72.2 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 169.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -54.15 -41.32 68.31 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.888 1.675 . . . . 0.0 115.256 169.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.4 -30.23 19.65 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.429 -2.224 . . . . 0.0 116.241 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.9 m -57.78 -42.3 83.83 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 122.296 2.317 . . . . 0.0 114.572 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.5 -51.09 21.52 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.217 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 m -69.33 -36.1 76.59 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.85 -29.95 68.37 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 115.098 -2.382 . . . . 0.0 113.012 168.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.589 2.445 0 CA-C-N 121.529 1.968 . . . . 0.0 115.269 169.457 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -70.43 -36.05 73.75 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -59.49 -42.74 92.8 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.53 -42.29 78.69 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 116.426 -1.749 . . . . 0.0 112.679 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.28 -39.3 63.83 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 121.039 1.745 . . . . 0.0 114.711 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.62 -38.46 89.49 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.781 -1.58 . . . . 0.0 113.289 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.67 -45.07 95.58 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.455 -1.736 . . . . 0.0 115.217 169.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.33 -37.99 89.44 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 7.5 mt-10 -68.72 -43.97 74.86 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.524 1.93 . . . . 0.0 115.483 173.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -73.07 -24.88 60.73 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.75 -50.06 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 CA-C-N 120.946 1.703 . . . . 0.0 113.609 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.7 -30.26 63.27 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.68 -48.41 69.38 Favored 'General case' 0 CA--C 1.577 1.996 0 CA-C-O 117.237 -1.363 . . . . 0.0 112.626 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.266 18.0 mt -54.86 -62.89 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.571 0 C-N-CA 125.06 1.344 . . . . 0.0 108.858 169.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -45.24 -37.21 4.46 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.76 -50.24 69.83 Favored Glycine 0 CA--C 1.556 2.616 0 C-N-CA 124.422 1.01 . . . . 0.0 114.733 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -64.09 -35.84 82.06 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 116.823 -1.56 . . . . 0.0 114.817 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.83 -46.27 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.666 0 CA-C-N 120.712 1.597 . . . . 0.0 110.802 170.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.32 -43.09 92.73 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 169.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -68.15 -22.81 64.84 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -76.16 -66.21 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-O 115.352 -2.261 . . . . 0.0 106.287 169.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.21 17.76 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.56 -43.25 39.77 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.845 -1.55 . . . . 0.0 112.199 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -68.81 -46.44 68.64 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 116.571 -1.68 . . . . 0.0 113.503 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.91 -45.93 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 126.148 1.779 . . . . 0.0 110.846 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.52 -33.34 67.96 Favored 'General case' 0 N--CA 1.508 2.427 0 CA-C-N 120.466 1.485 . . . . 0.0 113.835 168.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -35.11 76.35 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 168.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.01 -49.47 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.04 0 C-N-CA 125.899 1.68 . . . . 0.0 111.593 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.36 -22.88 66.86 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -78.97 -38.54 36.65 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.35 1.432 . . . . 0.0 112.209 168.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -75.13 -46.03 37.1 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.619 1.567 . . . . 0.0 114.308 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -64.07 -27.13 68.89 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.3 m -90.47 -39.62 12.5 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 116.215 -1.85 . . . . 0.0 114.001 169.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.29 -30.24 68.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.276 25.8 mt . . . . . 0 N--CA 1.51 2.573 0 CA-C-O 116.183 -1.865 . . . . 0.0 107.675 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.185 0 CA-C-O 115.484 -2.198 . . . . 0.0 115.773 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.93 -32.28 73.92 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 121.906 2.139 . . . . 0.0 112.752 168.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.01 -33.95 50.93 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 114.434 -2.698 . . . . 0.0 114.674 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.59 -37.8 79.48 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 123.881 3.037 . . . . 0.0 115.446 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.65 -26.49 66.24 Favored 'General case' 0 N--CA 1.505 2.288 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.829 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -73.92 -52.62 12.32 Favored 'General case' 0 CA--C 1.573 1.845 0 CA-C-O 115.712 -2.089 . . . . 0.0 112.667 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.18 -33.6 76.13 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -72.51 -42.2 65.07 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.706 1.594 . . . . 0.0 112.709 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.6 p -62.19 -31.35 71.85 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 168.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.36 -47.63 69.84 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.548 1.539 . . . . 0.0 114.428 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.71 -41.66 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.272 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.063 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -56.28 -53.38 57.88 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 120.819 1.645 . . . . 0.0 113.793 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.85 -42.27 73.79 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.925 -1.512 . . . . 0.0 114.975 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 46.3 m -73.22 -62.77 1.35 Allowed 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 114.545 -2.645 . . . . 0.0 109.36 173.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.35 -30.25 18.05 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 124.371 3.259 . . . . 0.0 117.465 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -71.4 -46.1 61.09 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.364 168.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -55.84 -36.73 67.85 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 168.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' THR . 38.3 t -82.67 -51.35 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 127.098 2.159 . . . . 0.0 108.808 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -53.33 -40.54 64.92 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m -63.27 -34.4 77.6 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 171.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -73.67 -28.62 61.85 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 120.79 1.632 . . . . 0.0 113.823 169.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -44.99 90.15 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 169.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -61.17 -38.17 85.53 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -58.47 -25.21 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 169.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mm -78.35 -51.08 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-O 116.314 -1.803 . . . . 0.0 109.522 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -61.35 -30.9 70.81 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.23 -43.25 99.18 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 116.585 -1.674 . . . . 0.0 115.137 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 176.253 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 124.603 2.144 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -166.62 -57.75 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 110.681 -2.963 . . . . 0.0 107.831 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -9.87 59.1 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 169.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -90.81 -43.9 9.77 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.865 2.066 . . . . 0.0 109.447 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.256 17.9 mt -55.35 -49.4 73.09 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.518 0 C-N-CA 127.384 2.274 . . . . 0.0 110.667 168.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -59.6 -41.04 89.44 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.95 -33.22 75.24 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 168.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.2 m -61.57 -50.08 74.08 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 125.242 1.417 . . . . 0.0 113.437 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -76.47 -37.52 56.76 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 116.353 -1.784 . . . . 0.0 115.002 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.03 -45.62 91.45 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 121.09 1.768 . . . . 0.0 115.689 171.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -68.98 -33.41 73.64 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.0 m -76.44 -45.29 32.02 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 116.846 -1.549 . . . . 0.0 112.216 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.64 -40.61 92.62 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-O 116.533 -1.699 . . . . 0.0 114.972 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.0 p -68.2 -23.34 64.82 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -69.59 -46.84 65.39 Favored 'General case' 0 CA--C 1.575 1.942 0 C-N-CA 125.167 1.387 . . . . 0.0 113.018 169.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.93 -31.0 70.44 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 120.395 1.452 . . . . 0.0 113.072 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.37 -46.5 86.21 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.864 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.13 -43.84 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.365 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.21 -32.37 69.88 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -88.96 -53.23 9.83 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.263 0 CA-C-O 115.122 -2.371 . . . . 0.0 108.716 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.8 tpp -64.79 -45.59 85.66 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 122.942 2.61 . . . . 0.0 114.18 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.4 m -62.79 -26.54 68.77 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -79.41 -46.04 18.34 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 117.094 -1.432 . . . . 0.0 112.377 169.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.56 -32.62 69.08 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 169.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.74 -41.47 73.95 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 120.09 1.313 . . . . 0.0 113.852 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.16 -21.85 45.88 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.9 m -60.84 -23.85 65.42 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.85 -49.96 26.91 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 120.731 1.605 . . . . 0.0 113.391 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 t -75.27 -34.32 61.35 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.97 -8.65 54.7 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 115.828 -2.035 . . . . 0.0 113.214 167.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.494 1.769 0 CA-C-N 121.448 1.931 . . . . 0.0 113.311 167.184 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 102.114 -3.291 . . . . 0.0 102.114 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -57.0 -38.47 73.12 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.16 -41.39 18.54 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.638 -1.649 . . . . 0.0 113.924 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mtp -67.11 -36.66 82.41 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 116.313 -1.803 . . . . 0.0 113.631 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -61.29 -45.09 95.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 120.882 1.674 . . . . 0.0 114.662 169.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.23 -38.97 81.3 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 120.862 1.665 . . . . 0.0 113.966 169.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.53 -46.52 86.62 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -68.61 -41.35 79.66 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 116.252 -1.833 . . . . 0.0 115.602 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -66.69 -37.86 85.59 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -66.08 -40.66 91.0 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.98 -50.31 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.722 0 CA-C-O 116.813 -1.565 . . . . 0.0 112.585 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -28.04 64.63 Favored 'General case' 0 N--CA 1.509 2.487 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.7 -42.89 49.72 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.478 1.111 . . . . 0.0 111.699 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.254 26.6 mm -54.03 -58.19 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.434 0 C-N-CA 126.727 2.011 . . . . 0.0 110.455 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -46.39 -33.93 4.26 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.18 -50.82 59.86 Favored Glycine 0 CA--C 1.556 2.631 0 CA-C-O 118.73 -1.039 . . . . 0.0 114.442 168.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.64 -36.69 76.88 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 168.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.23 -49.36 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.697 0 C-N-CA 126.105 1.762 . . . . 0.0 110.37 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.82 -42.54 79.76 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -63.55 -21.6 66.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 169.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.52 -63.72 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.224 0 CA-C-O 115.639 -2.124 . . . . 0.0 106.773 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.32 -24.05 6.89 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 119.08 2.993 . . . . 0.0 119.08 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.3 -46.23 42.47 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 116.737 -1.601 . . . . 0.0 112.257 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -69.29 -45.57 69.29 Favored 'General case' 0 CA--C 1.568 1.649 0 CA-C-N 120.837 1.653 . . . . 0.0 113.904 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.09 -46.46 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 125.896 1.678 . . . . 0.0 111.025 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.98 -37.62 77.25 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 116.523 -1.703 . . . . 0.0 114.437 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.82 -35.63 80.51 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.39 1.45 . . . . 0.0 114.627 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.2 t -54.4 -51.01 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.988 0 CA-C-O 117.081 -1.437 . . . . 0.0 110.205 169.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.69 -24.42 67.63 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -77.67 -38.56 47.36 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.212 1.369 . . . . 0.0 112.158 168.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -76.82 -47.94 19.98 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -30.7 68.69 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 118.756 2.873 . . . . 0.0 118.756 -172.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.6 m -90.12 -15.38 31.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.18 -17.62 27.25 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.271 -1.347 . . . . 0.0 114.33 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 CA--C 1.575 1.906 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.419 -169.554 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.87 -35.8 66.89 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.55 -29.59 64.91 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 116.49 -1.719 . . . . 0.0 115.278 169.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.1 mt -62.55 -35.69 80.25 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 121.205 1.821 . . . . 0.0 114.907 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.97 -21.47 66.5 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 168.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.07 -52.44 8.75 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 114.87 -2.49 . . . . 0.0 112.205 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.46 -35.84 82.25 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 123.428 2.831 . . . . 0.0 117.341 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.2 mtt -70.42 -43.06 70.74 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.127 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -66.74 -27.8 67.91 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 168.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.83 -43.6 75.19 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 171.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.47 -37.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-O 117.073 -1.442 . . . . 0.0 109.986 173.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.39 -49.01 75.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.785 1.634 . . . . 0.0 114.924 169.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -68.82 -46.6 68.19 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 117.296 -1.335 . . . . 0.0 114.234 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -70.83 -58.51 3.55 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 114.826 -2.512 . . . . 0.0 110.189 172.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.04 -35.17 46.28 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 123.458 2.845 . . . . 0.0 115.618 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -69.97 -41.4 74.5 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 122.288 2.313 . . . . 0.0 113.469 169.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -55.82 -36.49 67.53 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -89.72 -55.78 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.934 1.694 . . . . 0.0 110.065 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.263 20.5 ptt180 -59.21 -45.08 92.05 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.303 1.441 . . . . 0.0 113.225 -172.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -62.56 -19.57 63.81 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 168.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.89 -46.88 12.44 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.649 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.34 -21.37 63.83 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 120.993 1.724 . . . . 0.0 113.44 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.255 15.6 tppt? -59.23 -32.1 69.66 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-O 116.266 -1.826 . . . . 0.0 114.07 168.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -62.67 -24.79 67.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.96 -49.78 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 C-N-CA 126.135 1.774 . . . . 0.0 109.177 170.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.97 -27.43 68.27 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.42 -34.51 75.52 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 170.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.982 172.053 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.295 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.76 -41.11 98.05 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 116.492 -1.718 . . . . 0.0 114.37 169.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.02 -28.51 67.79 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -86.88 -37.43 17.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.062 1.745 . . . . 0.0 109.811 -169.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.251 52.2 mt -51.9 -38.84 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.978 0 C-N-CA 127.799 2.439 . . . . 0.0 110.602 166.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -47.34 81.66 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 127.144 2.178 . . . . 0.0 112.498 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -62.54 -33.24 74.52 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.306 1.442 . . . . 0.0 113.814 168.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -63.83 -44.5 93.01 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 124.677 1.191 . . . . 0.0 113.713 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.91 -44.94 45.95 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 115.833 -2.032 . . . . 0.0 113.625 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.0 -41.8 97.21 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 121.909 2.14 . . . . 0.0 115.888 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -66.86 -35.5 80.16 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 m -73.93 -46.65 42.91 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 120.036 1.289 . . . . 0.0 112.001 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.58 -46.06 73.66 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.16 1.784 . . . . 0.0 113.618 169.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.8 m -69.1 -29.63 67.76 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 169.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -61.74 -48.05 82.47 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.462 -1.733 . . . . 0.0 113.58 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -71.56 -24.27 61.9 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.359 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -39.07 77.6 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 169.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.18 -44.56 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 C-N-CA 125.202 1.401 . . . . 0.0 109.4 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -56.07 -8.9 0.52 Allowed 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.29 -55.25 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.153 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.9 mmm -65.41 -41.68 93.37 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 122.405 2.366 . . . . 0.0 114.199 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 61.4 m -61.87 -26.72 68.31 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 121.004 1.729 . . . . 0.0 115.446 168.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.31 -44.83 43.38 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-O 117.109 -1.424 . . . . 0.0 111.47 168.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -57.8 -29.38 64.85 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.05 -47.95 75.53 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 117.242 -1.361 . . . . 0.0 114.235 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.81 62.15 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 m -71.58 -49.14 43.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 117.117 -1.421 . . . . 0.0 112.602 171.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.1 -48.84 72.24 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.5 m -64.79 -35.68 81.88 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 171.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.48 -15.76 62.84 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.218 -2.325 . . . . 0.0 115.422 169.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.499 2.014 0 CA-C-N 122.178 2.263 . . . . 0.0 113.804 169.402 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -63.27 -41.6 99.04 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -75.0 -43.84 51.58 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.5 mmm -71.61 -34.87 70.23 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.649 -1.644 . . . . 0.0 113.098 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -58.05 -42.52 85.59 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 116.012 -1.947 . . . . 0.0 114.24 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -39.79 91.32 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 121.273 1.852 . . . . 0.0 114.564 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.94 -43.84 70.15 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 169.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -70.4 -39.82 74.26 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.34 -42.71 99.14 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.78 -27.39 66.71 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.59 -47.0 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.567 0 CA-C-O 116.36 -1.781 . . . . 0.0 111.192 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.98 -28.8 40.02 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.56 -45.16 19.75 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 116.928 -1.51 . . . . 0.0 112.127 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 21.1 mm -57.3 -37.55 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-O 114.809 -2.52 . . . . 0.0 112.537 174.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -56.65 -28.99 61.78 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-N 122.736 2.516 . . . . 0.0 114.101 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.35 -47.08 65.43 Favored Glycine 0 CA--C 1.558 2.765 0 CA-C-O 117.619 -1.656 . . . . 0.0 112.767 167.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.06 -35.56 71.52 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.59 -54.0 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.539 1.536 . . . . 0.0 109.756 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -38.94 72.97 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -63.01 -27.61 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -78.98 -59.91 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.054 0 CA-C-O 115.389 -2.243 . . . . 0.0 106.705 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.19 10.78 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 118.895 2.924 . . . . 0.0 118.895 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.2 -47.01 21.38 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 120.059 1.299 . . . . 0.0 113.018 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.57 -37.6 84.46 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.98 -47.42 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 CA-C-O 116.184 -1.865 . . . . 0.0 110.902 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -54.36 -31.36 54.41 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.77 -48.38 54.65 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -50.19 -41.67 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.213 0 C-N-CA 125.042 1.337 . . . . 0.0 111.857 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.7 -31.62 72.85 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 115.476 -2.202 . . . . 0.0 115.569 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -75.3 -35.24 61.3 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-N 121.791 2.087 . . . . 0.0 113.243 168.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -69.56 -45.89 67.69 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.092 1.757 . . . . 0.0 115.401 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -69.89 -14.36 62.7 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 118.931 2.937 . . . . 0.0 118.931 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.2 t -90.1 -23.31 21.42 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 -30.95 17.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.932 169.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.473 HD13 ' OG1' ' A' ' 71' ' ' THR . 12.8 mt -100.85 -38.73 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 CA-C-O 114.178 -2.82 . . . . 0.0 114.029 -167.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -31.32 0.08 Allowed 'General case' 0 N--CA 1.519 2.994 0 CA-C-N 124.262 3.21 . . . . 0.0 117.315 170.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . 0.329 . . -126.79 23.11 6.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.887 2.475 . . . . 0.0 116.557 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -24.6 77.23 0.01 OUTLIER Pre-proline 0 CA--C 1.575 1.916 0 N-CA-C 119.16 3.022 . . . . 0.0 119.16 -163.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.13 -16.13 12.53 Favored 'Trans proline' 0 C--N 1.399 3.214 0 C-N-CA 123.215 2.61 . . . . 0.0 113.429 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -155.3 -21.52 0.0 OUTLIER Pre-proline 0 CA--C 1.594 2.655 1 CA-C-O 110.678 -4.486 . . . . 0.0 117.267 -169.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -61.6 -92.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.396 3.071 1 CA-C-N 131.861 5.272 . . . . 0.0 117.583 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -140.0 179.12 6.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.778 1.631 . . . . 0.0 108.17 -168.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.53 -96.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 167.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.419 14.4 mmtt -94.12 93.14 7.64 Favored 'General case' 0 CA--C 1.571 1.785 1 CA-C-O 132.676 5.989 . . . . 0.0 105.709 168.543 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.473 ' OG1' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -78.16 -33.96 50.0 Favored 'General case' 0 CA--C 1.583 2.248 2 CA-C-N 101.204 -7.271 . . . . 0.0 94.958 163.436 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -61.16 -23.22 65.39 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 112.346 -2.207 . . . . 0.0 114.453 167.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.91 -40.62 4.7 Favored 'General case' 0 CA--C 1.587 2.383 0 CA-C-N 122.664 2.484 . . . . 0.0 114.973 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.33 -23.6 21.09 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 115.706 -2.092 . . . . 0.0 116.001 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.37 -38.76 92.41 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 122.806 2.548 . . . . 0.0 115.714 -172.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.69 -21.65 63.08 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.99 -59.69 2.68 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.787 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.68 -37.24 85.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 123.057 2.662 . . . . 0.0 117.609 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.9 mtt -72.98 -43.04 62.68 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.29 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -68.07 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 168.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.74 -45.81 73.91 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.49 -42.99 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.585 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -52.12 -42.42 63.28 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 121.863 2.119 . . . . 0.0 115.637 170.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.27 -50.2 49.07 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.342 1.428 . . . . 0.0 114.463 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -66.56 -49.33 66.78 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 115.721 -2.085 . . . . 0.0 112.477 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.17 -42.97 41.59 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -69.86 -37.19 76.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 169.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -59.79 -46.94 87.64 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.3 -52.77 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 C-N-CA 125.744 1.618 . . . . 0.0 113.381 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -51.97 -38.33 56.19 Favored 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.5 m -70.25 -24.33 63.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 169.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -79.9 -26.05 40.37 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 122.073 2.215 . . . . 0.0 112.392 169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.287 84.2 mt -70.98 -43.75 67.39 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.364 2.266 . . . . 0.0 113.481 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -60.66 -46.42 90.38 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 115.391 -2.243 . . . . 0.0 112.164 168.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.1 p -51.88 -27.95 14.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm -76.59 -48.7 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 CA-C-O 115.85 -2.024 . . . . 0.0 109.937 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -62.42 -41.55 98.78 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 121.364 1.893 . . . . 0.0 114.75 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.79 -42.43 93.35 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 126.605 1.962 . . . . 0.0 114.442 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 t -71.01 -27.3 63.59 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 mt -71.42 -61.4 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 116.473 -1.727 . . . . 0.0 107.661 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.0 -24.1 3.45 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -83.66 -35.91 24.21 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 115.994 -1.955 . . . . 0.0 113.191 172.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.84 -4.11 57.76 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 121.147 1.794 . . . . 0.0 115.776 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.334 5.1 tt0 -77.35 -62.93 1.5 Allowed 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 126.932 2.093 . . . . 0.0 111.137 169.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -44.54 -24.05 0.61 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 120.467 2.947 . . . . 0.0 120.467 169.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.03 -12.53 4.83 Favored 'General case' 0 N--CA 1.506 2.352 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 168.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m120 71.52 83.23 0.14 Allowed 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 129.338 3.055 . . . . 0.0 109.462 -169.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -146.49 146.68 30.62 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.892 1.277 . . . . 0.0 108.323 -173.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.5 t -146.31 105.39 3.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 171.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.6 t -143.04 153.15 42.66 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.503 1.121 . . . . 0.0 110.446 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.23 -31.73 70.5 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.65 -40.49 87.86 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 169.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.55 -33.66 68.35 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.699 1.6 . . . . 0.0 115.276 169.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -90.64 -36.83 14.16 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.504 1.522 . . . . 0.0 109.56 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.26 -37.25 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.863 0 C-N-CA 126.591 1.956 . . . . 0.0 109.873 166.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -65.66 -45.63 82.19 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 125.415 1.486 . . . . 0.0 112.566 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -65.43 -30.0 70.75 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -61.53 -48.21 82.06 Favored 'General case' 0 CA--C 1.58 2.102 0 CA-C-N 120.026 1.285 . . . . 0.0 113.778 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -70.93 -37.71 72.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 116.613 -1.661 . . . . 0.0 114.482 170.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.4 -46.07 91.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.9 p -65.04 -28.18 69.31 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.7 m -77.86 -45.06 25.35 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.232 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.66 -46.42 88.26 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -72.49 -30.62 64.68 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 128' ' ' VAL . 27.8 tpt180 -68.48 -41.85 79.54 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.45 170.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -70.19 -37.05 75.02 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 120.943 1.702 . . . . 0.0 113.416 169.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.01 -37.51 87.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 116.07 -1.919 . . . . 0.0 115.414 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 125' ' ' ARG . 2.1 p -70.18 -43.06 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-N 121.06 1.755 . . . . 0.0 113.807 174.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 -32.9 35.49 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.54 -52.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 115.631 -2.128 . . . . 0.0 112.259 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.1 tpp -64.14 -43.7 94.44 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.122 2.237 . . . . 0.0 114.406 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.4 t -64.31 -27.49 69.06 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -42.09 63.89 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-O 117.218 -1.372 . . . . 0.0 112.367 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -35.65 78.46 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.75 -41.41 81.88 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.388 -1.291 . . . . 0.0 113.747 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.37 59.49 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 168.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.0 m -66.78 -46.02 76.63 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.856 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.66 -44.91 84.87 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 116.714 -1.612 . . . . 0.0 114.255 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.0 m -66.96 -39.32 87.22 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 115.754 -2.069 . . . . 0.0 115.204 169.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.81 -17.88 61.92 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.455 1.934 . . . . 0.0 116.112 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.92 -31.04 70.53 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.454 ' HA ' ' OG ' ' A' ' 145' ' ' SER . 5.3 ptm180 -138.44 1.95 2.21 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 -168.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.04 -53.25 8.63 Favored 'General case' 0 N--CA 1.51 2.526 0 C-N-CA 124.17 0.988 . . . . 0.0 108.981 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.469 ' HG3' ' H ' ' A' ' 146' ' ' LYS . 28.8 ptt-85 -85.64 -52.35 5.86 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 116.805 -1.569 . . . . 0.0 108.696 167.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 142' ' ' ARG . 0.4 OUTLIER 43.07 33.82 0.58 Allowed 'General case' 0 N--CA 1.524 3.245 0 CA-C-O 126.501 3.048 . . . . 0.0 110.559 -165.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.469 ' H ' ' HG3' ' A' ' 144' ' ' ARG . 61.3 pttt . . . . . 0 N--CA 1.491 1.597 1 CA-C-N 106.881 -4.691 . . . . 0.0 117.824 -165.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.566 1.562 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.49 -43.91 92.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 121.451 1.932 . . . . 0.0 115.438 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -78.28 -42.86 29.69 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.1 mmt -69.88 -36.61 75.6 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 116.279 -1.82 . . . . 0.0 114.377 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -63.19 -42.27 99.32 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 115.7 -2.095 . . . . 0.0 115.006 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.51 -43.53 85.02 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-N 122.047 2.203 . . . . 0.0 114.569 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.34 -42.68 99.08 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.925 -1.988 . . . . 0.0 116.149 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -71.52 -34.18 69.86 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 121.403 1.911 . . . . 0.0 115.623 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.309 1.3 pt-20 -68.76 -44.89 72.78 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 174.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.29 -39.76 92.96 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -53.04 -45.96 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.884 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.1 -30.51 62.17 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 170.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.83 -41.74 67.82 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.426 1.09 . . . . 0.0 112.044 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.67 -49.11 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 CA-C-O 116.533 -1.699 . . . . 0.0 111.11 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.22 -29.79 70.04 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.57 50.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 116.188 1.235 . . . . 0.0 116.188 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -61.07 -40.91 95.48 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 169.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.4 -38.69 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.8 0 CA-C-O 116.567 -1.683 . . . . 0.0 110.594 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.51 -43.66 98.26 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 116.462 -1.733 . . . . 0.0 114.83 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.19 -37.28 86.63 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 121.157 1.799 . . . . 0.0 113.8 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.19 -60.84 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.232 0 CA-C-O 115.158 -2.353 . . . . 0.0 106.186 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.52 -22.3 43.45 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.34 -46.59 26.88 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 116.908 -1.52 . . . . 0.0 111.78 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -67.79 -47.1 70.07 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 120.842 1.656 . . . . 0.0 113.544 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.63 -46.22 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 0 C-N-CA 127.131 2.172 . . . . 0.0 111.243 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.11 -36.23 74.8 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.857 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.53 -40.81 80.6 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 120.389 1.449 . . . . 0.0 114.054 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 t -51.56 -42.74 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 CA-C-N 120.642 1.564 . . . . 0.0 110.859 169.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -59.56 -36.38 76.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.12 -34.75 68.81 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 119.605 1.093 . . . . 0.0 113.491 169.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.66 -46.48 53.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -36.81 78.57 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -74.62 -45.35 45.55 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.336 -1.792 . . . . 0.0 115.203 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.75 68.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.978 2.214 . . . . 0.0 116.978 169.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.2 mt -86.54 -29.24 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.205 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -22.88 65.22 Favored 'General case' 0 N--CA 1.51 2.544 0 CA-C-N 123.536 2.88 . . . . 0.0 112.225 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -60.98 1.97 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 116.979 -1.486 . . . . 0.0 110.282 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -92.51 88.53 0.32 Allowed Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 116.729 -1.605 . . . . 0.0 107.193 168.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.07 -17.73 53.79 Favored 'Trans proline' 0 C--N 1.389 2.678 0 C-N-CA 124.292 3.328 . . . . 0.0 114.51 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -124.65 81.7 60.34 Favored Pre-proline 0 CA--C 1.592 2.563 0 N-CA-C 103.622 -2.733 . . . . 0.0 103.622 167.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -78.04 -79.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 124.284 3.323 . . . . 0.0 110.879 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -148.28 158.19 43.94 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 127.028 2.131 . . . . 0.0 108.705 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.62 -25.81 60.65 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -56.47 -38.34 71.55 Favored 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -72.76 -54.2 9.53 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.013 -170.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -80.03 -44.15 20.64 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-N 119.622 1.101 . . . . 0.0 112.121 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -40.2 -38.57 0.79 Allowed 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 127.063 2.145 . . . . 0.0 116.543 168.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.94 -27.34 30.64 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 115.612 -2.137 . . . . 0.0 115.14 169.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.66 -33.72 70.42 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 122.495 2.407 . . . . 0.0 116.562 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.31 -28.35 67.09 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.561 168.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.88 -53.86 13.57 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.83 -2.034 . . . . 0.0 112.251 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.64 -29.94 70.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.3 mtt -75.09 -47.27 29.56 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.894 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.22 -19.72 64.78 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.84 -48.2 22.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.26 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.3 -39.06 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.449 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.71 -47.57 76.62 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-O 116.239 -1.839 . . . . 0.0 114.583 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 120.947 1.703 . . . . 0.0 114.792 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 89' ' ' VAL . 89.3 m -73.57 -61.99 1.64 Allowed 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 114.943 -2.456 . . . . 0.0 109.568 172.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.21 -31.65 8.96 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 123.782 2.992 . . . . 0.0 117.656 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.17 -47.75 48.47 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 117.522 -1.228 . . . . 0.0 112.459 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -54.72 -31.95 58.97 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 85' ' ' THR . 98.1 t -86.79 -54.87 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 127.283 2.233 . . . . 0.0 108.083 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.67 -41.71 67.16 Favored 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 m -60.79 -30.12 69.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -75.87 -37.01 59.34 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.605 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.22 -42.66 99.3 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -58.66 -37.22 75.51 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 170.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.8 m -64.0 -25.38 68.1 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.1 mp -76.49 -51.59 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 CA-C-O 116.205 -1.855 . . . . 0.0 108.59 169.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.47 -42.8 95.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 169.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 t -71.77 -23.4 61.58 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.2 mt -78.06 -62.64 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.49 -1.719 . . . . 0.0 107.318 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -46.13 -35.6 5.15 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 121.84 2.109 . . . . 0.0 116.403 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -22.07 20.85 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 117.358 2.355 . . . . 0.0 117.358 172.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.77 66.94 1.53 Allowed 'General case' 0 CA--C 1.572 1.821 0 CA-C-O 124.223 1.963 . . . . 0.0 107.323 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' HG3' ' H ' ' A' ' 107' ' ' ASN . 8.2 pt-20 -73.37 -6.26 45.01 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 112.274 -2.239 . . . . 0.0 116.507 168.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.03 16.8 58.88 Favored Glycine 0 CA--C 1.557 2.713 2 CA-C-N 106.35 -4.932 . . . . 0.0 107.559 -167.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.75 59.35 1.79 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 128.204 2.602 . . . . 0.0 112.306 169.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.572 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 7.1 t30 78.03 78.53 0.07 Allowed 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 109.138 -3.664 . . . . 0.0 109.62 -169.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -143.24 165.33 27.74 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.364 1.465 . . . . 0.0 112.118 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 t -152.71 121.16 6.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.192 1.397 . . . . 0.0 107.742 170.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.8 m -149.97 146.49 27.05 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.617 1.167 . . . . 0.0 108.906 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.9 95.7 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 -171.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -36.46 82.03 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.77 -30.44 71.45 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 125.772 1.629 . . . . 0.0 114.873 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -90.95 -33.39 15.6 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.496 1.518 . . . . 0.0 111.825 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 mt -53.0 -47.17 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.511 0 C-N-CA 126.719 2.007 . . . . 0.0 111.092 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -56.41 -44.08 79.98 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 124.897 1.279 . . . . 0.0 114.193 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -62.67 -37.6 87.07 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.788 1.635 . . . . 0.0 115.106 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.6 m -63.55 -45.46 90.4 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.236 1.414 . . . . 0.0 113.934 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.68 -38.45 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.917 -1.992 . . . . 0.0 114.745 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -63.54 -35.91 82.03 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.448 1.931 . . . . 0.0 115.861 172.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -66.95 -39.87 87.38 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -68.81 -44.72 72.94 Favored 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 120.121 1.328 . . . . 0.0 112.908 169.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 -43.51 83.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.548 1.539 . . . . 0.0 114.055 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -69.49 -28.69 66.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -67.21 -37.93 84.46 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -39.27 55.3 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.789 1.632 . . . . 0.0 113.393 169.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -60.55 -35.96 77.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 116.032 -1.937 . . . . 0.0 114.874 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.43 -44.82 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-N 121.139 1.79 . . . . 0.0 114.229 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.27 -31.03 30.74 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -98.68 -50.06 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.086 0 CA-C-O 115.828 -2.034 . . . . 0.0 112.855 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.9 -45.61 88.58 Favored 'General case' 0 N--CA 1.505 2.292 0 CA-C-N 121.886 2.13 . . . . 0.0 113.825 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.4 t -64.9 -28.92 69.87 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.27 -44.68 67.94 Favored 'General case' 0 CA--C 1.577 1.996 0 C-N-CA 125.171 1.389 . . . . 0.0 112.184 168.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -60.12 -36.25 77.05 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.31 -43.21 92.66 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-O 117.211 -1.376 . . . . 0.0 114.22 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.31 60.9 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 169.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.7 m -67.73 -46.68 71.45 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.724 -1.608 . . . . 0.0 113.57 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -66.02 -46.3 78.41 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.336 -1.792 . . . . 0.0 113.849 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 50.5 m -63.38 -31.2 72.29 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.31 -27.59 67.28 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.363 -1.779 . . . . 0.0 115.297 169.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -79.51 7.03 8.91 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 170.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -152.94 3.22 0.32 Allowed 'General case' 0 N--CA 1.52 3.051 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.25 -72.8 0.56 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 103.274 -2.861 . . . . 0.0 103.274 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -118.28 91.26 3.52 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.5 t -89.98 -25.13 21.04 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 100.748 -3.797 . . . . 0.0 100.748 163.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.366 1.299 0 CA-C-N 111.791 -2.459 . . . . 0.0 109.347 168.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.55 -37.94 80.37 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -79.39 -45.79 18.85 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.908 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -70.43 -37.17 74.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.185 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.08 -40.41 89.45 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 120.553 1.524 . . . . 0.0 113.618 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -36.88 85.08 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.184 1.356 . . . . 0.0 114.346 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -60.06 -49.21 78.53 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-O 116.466 -1.73 . . . . 0.0 114.93 169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.76 -34.34 76.63 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.71 -44.95 84.54 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 126.517 1.927 . . . . 0.0 116.073 169.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -70.25 -20.22 63.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.05 -48.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-O 116.392 -1.766 . . . . 0.0 111.614 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.76 -27.8 60.09 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.86 2.541 . . . . 0.0 117.86 173.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.73 -35.99 57.45 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 117.205 -1.379 . . . . 0.0 112.981 168.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.294 19.3 mt -60.43 -64.02 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.515 2.797 0 C-N-CA 125.223 1.409 . . . . 0.0 108.48 169.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.05 -33.64 8.34 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 171.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.11 -50.19 70.32 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-O 118.307 -1.274 . . . . 0.0 114.96 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.8 -43.21 97.0 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 116.599 -1.667 . . . . 0.0 113.513 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.3 mt -58.51 -47.47 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.754 0 C-N-CA 125.768 1.627 . . . . 0.0 110.623 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -54.71 -44.41 73.43 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -67.22 -22.4 65.71 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 116.196 -1.859 . . . . 0.0 115.987 169.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.21 -66.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 CA-C-O 115.16 -2.352 . . . . 0.0 105.879 168.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -22.13 60.65 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.71 -46.37 25.76 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 116.631 -1.652 . . . . 0.0 111.567 169.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.19 -42.54 72.27 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.301 1.864 . . . . 0.0 113.385 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.0 -46.24 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 C-N-CA 126.515 1.926 . . . . 0.0 111.096 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.88 -34.51 69.85 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-N 120.834 1.652 . . . . 0.0 114.031 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.55 -43.61 84.61 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.67 -48.97 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.832 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.439 171.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.22 -27.89 69.3 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -76.36 -35.23 58.79 Favored 'General case' 0 N--CA 1.508 2.475 0 CA-C-N 120.555 1.525 . . . . 0.0 113.325 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -76.01 -43.3 44.85 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -73.66 -47.71 37.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.56 -1.686 . . . . 0.0 115.061 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.69 -22.03 65.29 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -90.72 -35.25 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 116.439 -1.743 . . . . 0.0 108.173 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.27 -29.63 70.55 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 122.764 2.529 . . . . 0.0 111.234 166.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.81 -53.7 8.07 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 114.944 -2.455 . . . . 0.0 111.969 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.6 m -93.06 92.01 0.58 Allowed Pre-proline 0 CA--C 1.576 1.972 0 CA-C-N 122.999 2.636 . . . . 0.0 107.821 167.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.06 -12.79 36.3 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 124.726 3.618 . . . . 0.0 114.908 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -124.4 81.2 59.34 Favored Pre-proline 0 CA--C 1.588 2.433 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 168.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -87.52 -157.33 0.07 OUTLIER 'Trans proline' 0 CA--C 1.579 2.75 0 C-N-CA 123.814 3.01 . . . . 0.0 112.462 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.22 159.27 32.73 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.04 1.336 . . . . 0.0 112.338 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -53.17 -26.41 17.13 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -56.58 -39.04 72.83 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -70.77 -57.32 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 116.978 -1.487 . . . . 0.0 113.177 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -79.85 -41.35 26.5 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 117.247 -1.358 . . . . 0.0 113.872 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -44.44 -36.87 3.1 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 115.794 1.776 . . . . 0.0 115.794 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.64 -28.89 51.47 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 115.1 -2.381 . . . . 0.0 115.289 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.93 -41.79 96.9 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 122.97 2.623 . . . . 0.0 116.141 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.14 -30.17 71.38 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.68 -52.78 13.84 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.786 -2.055 . . . . 0.0 112.922 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.26 -34.63 78.8 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 mmt -71.45 -44.39 64.91 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 116.982 -1.485 . . . . 0.0 113.645 170.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -65.82 -28.16 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 169.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.17 -45.92 72.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.4 mt -68.91 -39.59 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-O 115.857 -2.02 . . . . 0.0 110.16 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.31 -49.5 75.9 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 121.619 2.009 . . . . 0.0 114.075 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.12 -43.58 70.71 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.6 1.546 . . . . 0.0 114.189 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 m -68.39 -50.24 54.39 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-O 115.719 -2.086 . . . . 0.0 112.654 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.89 69.26 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -69.8 -37.67 76.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 170.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 120.807 1.639 . . . . 0.0 114.773 169.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.36 -52.97 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.113 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -53.9 -44.49 70.54 Favored 'General case' 0 N--CA 1.515 2.776 0 CA-C-N 120.849 1.659 . . . . 0.0 114.139 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -59.4 -30.1 68.2 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -71.41 -38.93 71.39 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.008 169.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.37 -47.22 76.13 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 169.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 115.714 -2.089 . . . . 0.0 115.194 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 t -59.1 -20.7 55.82 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 169.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.09 -48.94 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.26 0 CA-C-O 116.061 -1.923 . . . . 0.0 108.005 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.4 -42.98 97.07 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 121.485 1.948 . . . . 0.0 115.494 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.62 -40.28 96.49 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m -72.52 -23.9 61.07 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.0 mt -74.68 -64.41 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 CA-C-N 121.051 1.75 . . . . 0.0 107.158 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -41.27 -30.33 0.17 Allowed 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -90.33 -35.43 15.24 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -77.04 3.61 11.97 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 172.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.251 0.4 OUTLIER -76.61 -63.93 1.23 Allowed 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 125.865 1.666 . . . . 0.0 112.598 -173.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.2 11.93 69.81 Favored Glycine 0 CA--C 1.55 2.232 0 CA-C-O 117.934 -1.481 . . . . 0.0 116.092 169.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.263 1.0 OUTLIER -76.28 -61.69 1.86 Allowed 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 116.618 -1.658 . . . . 0.0 110.212 171.063 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -170.72 72.41 0.06 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 121.013 1.733 . . . . 0.0 108.949 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -156.3 129.73 8.2 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.6 t -135.42 102.52 5.17 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.183 0.993 . . . . 0.0 108.394 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 p 50.41 161.22 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.317 2.247 . . . . 0.0 116.672 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 60.79 -51.17 0.1 Allowed 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 129.303 3.041 . . . . 0.0 115.399 -170.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -40.05 77.28 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 119.953 1.252 . . . . 0.0 113.015 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.1 -33.03 74.57 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 125.615 1.566 . . . . 0.0 114.416 168.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -91.65 -43.66 9.48 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.705 1.602 . . . . 0.0 112.579 -168.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.6 mt -44.53 -47.06 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.776 0 C-N-CA 126.292 1.837 . . . . 0.0 112.237 167.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.24 -45.37 76.93 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.184 1.794 . . . . 0.0 112.218 -174.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.42 -24.43 64.74 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 116.476 -1.726 . . . . 0.0 114.591 168.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.6 m -65.82 -52.9 46.8 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 120.885 1.675 . . . . 0.0 112.963 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.71 -38.52 67.47 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 116.661 -1.638 . . . . 0.0 114.922 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.91 -45.15 93.46 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 172.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.5 m -69.28 -34.33 74.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -72.68 -47.12 49.94 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-N 120.176 1.353 . . . . 0.0 112.124 169.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.77 -44.65 82.03 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.86 1.664 . . . . 0.0 114.241 169.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.9 m -64.71 -33.6 76.33 Favored 'General case' 0 CA--C 1.565 1.549 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.781 -1.581 . . . . 0.0 114.459 170.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -68.42 -33.74 74.76 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.922 1.237 . . . . 0.0 113.776 169.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.41 -41.45 89.5 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.1 t -73.11 -47.4 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.403 0 C-N-CA 125.509 1.523 . . . . 0.0 109.581 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.03 -11.52 0.09 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 116.89 2.182 . . . . 0.0 116.89 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.66 -53.93 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 CA-C-O 116.123 -1.894 . . . . 0.0 111.88 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.8 mmt -59.47 -41.13 89.06 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 121.643 2.019 . . . . 0.0 115.463 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.5 p -69.46 -29.83 67.59 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.62 -40.66 69.64 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.009 1.277 . . . . 0.0 111.403 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.96 -35.22 77.82 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.77 -44.09 73.35 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.672 1.589 . . . . 0.0 115.063 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.15 49.2 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 169.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.7 m -65.76 -45.57 82.05 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.871 1.669 . . . . 0.0 113.95 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -66.63 -47.8 71.47 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.195 -1.859 . . . . 0.0 113.932 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.2 t -68.1 -35.9 78.91 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.53 -12.58 61.66 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.23 -1.843 . . . . 0.0 115.072 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -75.31 -57.78 3.68 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 121.203 1.819 . . . . 0.0 110.841 168.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -85.86 -23.54 27.05 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.765 2.876 . . . . 0.0 118.765 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -82.43 -52.04 7.26 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 114.784 -2.531 . . . . 0.0 106.308 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -85.62 42.01 0.94 Allowed 'General case' 0 CA--C 1.583 2.224 0 CA-C-N 121.486 1.948 . . . . 0.0 112.246 167.109 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 t -84.36 12.36 6.88 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 162.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 144' ' ' ARG . 18.0 pttp . . . . . 0 N--CA 1.481 1.113 1 C-N-CA 134.27 5.028 . . . . 0.0 109.74 167.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -35.08 76.02 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.25 -43.91 22.81 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.2 mmm -68.33 -37.44 80.55 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 116.66 -1.638 . . . . 0.0 113.229 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -59.31 -43.49 92.64 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 116.487 -1.72 . . . . 0.0 113.901 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -37.26 82.59 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.91 1.686 . . . . 0.0 113.632 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -62.44 -41.83 99.01 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 116.182 -1.866 . . . . 0.0 115.676 169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -67.22 -39.42 86.27 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.19 -41.76 76.72 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.4 -26.94 67.48 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.63 -47.86 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 CA-C-O 116.581 -1.676 . . . . 0.0 111.307 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.55 -26.87 34.68 Favored 'General case' 0 CA--C 1.58 2.131 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -71.42 -53.46 13.95 Favored 'General case' 0 CA--C 1.586 2.339 0 C-N-CA 124.85 1.26 . . . . 0.0 111.296 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.255 17.1 mm -44.25 -47.76 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.569 0 C-N-CA 127.411 2.284 . . . . 0.0 112.772 169.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -55.68 -36.62 67.33 Favored 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -51.83 55.86 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 170.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -58.32 -37.74 75.72 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 169.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.6 -50.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 125.581 1.552 . . . . 0.0 110.321 176.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.83 -41.67 74.62 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -30.88 70.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.24 -62.85 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 CA-C-O 115.512 -2.185 . . . . 0.0 107.655 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.14 19.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 118.642 2.83 . . . . 0.0 118.642 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.03 -45.27 50.71 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 116.689 -1.624 . . . . 0.0 112.399 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -70.84 -42.92 69.55 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 115.979 -1.962 . . . . 0.0 113.981 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.41 -47.83 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-N 121.007 1.73 . . . . 0.0 110.448 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.96 -34.34 65.61 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-N 120.535 1.516 . . . . 0.0 114.218 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.13 -38.5 82.25 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.63 -51.24 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 0 CA-C-O 116.188 -1.863 . . . . 0.0 110.718 171.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -65.75 -18.63 65.46 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -80.98 -31.92 34.57 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 120.548 1.522 . . . . 0.0 111.486 167.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -73.37 -71.17 0.33 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.982 1.313 . . . . 0.0 112.157 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -43.4 -33.93 1.16 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 119.172 3.027 . . . . 0.0 119.172 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 m -88.59 -28.79 20.47 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.386 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 -13.88 60.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 121.94 2.155 . . . . 0.0 116.185 169.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.23 -46.78 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.04 -22.56 62.82 Favored 'General case' 0 N--CA 1.515 2.778 0 CA-C-N 123.395 2.816 . . . . 0.0 113.42 165.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -44.76 12.66 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 115.092 -2.385 . . . . 0.0 111.106 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.3 m -92.42 97.86 1.84 Allowed Pre-proline 0 CA--C 1.574 1.878 0 CA-C-N 122.776 2.534 . . . . 0.0 112.102 168.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -78.88 -5.51 14.66 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.651 2.901 . . . . 0.0 110.912 166.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -118.39 80.74 16.54 Favored Pre-proline 0 CA--C 1.597 2.78 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -86.02 -171.67 0.91 Allowed 'Trans proline' 0 CA--C 1.581 2.85 0 C-N-CA 124.754 3.636 . . . . 0.0 114.665 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -123.0 132.15 54.01 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.878 1.271 . . . . 0.0 107.871 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 40.47 71.36 0.19 Allowed 'General case' 0 N--CA 1.535 3.776 0 CA-C-O 125.63 2.633 . . . . 0.0 110.12 -167.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.756 ' C ' ' H ' ' A' ' 72' ' ' LYS . 67.3 mmtt -28.32 90.82 0.0 OUTLIER 'General case' 0 CA--C 1.474 -1.962 2 CA-C-N 102.745 -6.57 . . . . 0.0 107.108 -166.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -46.92 6.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 2 CA-C-N 101.402 -7.181 . . . . 0.0 116.971 -167.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.756 ' H ' ' C ' ' A' ' 70' ' ' LYS . 24.9 mmmt -91.3 -23.47 20.12 Favored 'General case' 0 N--CA 1.48 1.031 1 CA-C-N 106.933 -4.667 . . . . 0.0 114.151 179.263 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.81 -42.83 99.51 Favored 'General case' 0 CA--C 1.578 2.031 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 168.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.76 -21.95 56.95 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 115.997 -1.954 . . . . 0.0 116.187 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.77 -34.07 77.02 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 122.352 2.342 . . . . 0.0 114.937 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -21.66 66.58 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 119.842 1.201 . . . . 0.0 114.081 168.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.08 -54.87 6.2 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-O 114.773 -2.537 . . . . 0.0 111.628 169.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -29.48 70.31 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 123.144 2.702 . . . . 0.0 117.74 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.7 mmt -69.86 -49.04 56.22 Favored 'General case' 0 N--CA 1.505 2.296 0 CA-C-O 116.978 -1.487 . . . . 0.0 112.772 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.44 -26.04 67.78 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -69.77 -42.08 74.29 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 116.122 -1.894 . . . . 0.0 115.12 171.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.5 mt -77.24 -38.11 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 CA-C-N 121.279 1.854 . . . . 0.0 109.887 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -59.66 -42.67 93.36 Favored 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 121.011 1.732 . . . . 0.0 114.74 169.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -68.19 -51.6 43.79 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.694 1.588 . . . . 0.0 113.651 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -65.14 -57.99 7.17 Favored 'General case' 0 CA--C 1.573 1.848 0 CA-C-O 115.054 -2.403 . . . . 0.0 110.862 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.63 -33.19 45.57 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 114.851 -2.499 . . . . 0.0 116.078 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -68.4 -37.1 80.03 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 122.273 2.306 . . . . 0.0 114.661 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -60.48 -34.15 73.63 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.473 1.488 . . . . 0.0 114.505 168.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.15 -60.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.681 1.592 . . . . 0.0 109.34 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -53.27 -50.44 64.83 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 126.682 1.993 . . . . 0.0 113.602 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -60.41 -23.8 64.65 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 168.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -73.9 -39.96 63.5 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 117.247 -1.359 . . . . 0.0 114.375 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.0 -45.05 91.59 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 127.269 2.228 . . . . 0.0 115.33 170.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -63.54 -28.32 69.86 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 115.441 -2.219 . . . . 0.0 116.128 169.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.9 m -69.38 -28.08 65.88 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 121.643 2.02 . . . . 0.0 115.7 168.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.2 mm -77.49 -46.77 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.542 169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -64.02 -39.52 94.28 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 120.389 1.45 . . . . 0.0 114.805 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -61.56 -41.28 97.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.086 -1.435 . . . . 0.0 114.583 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m -75.45 -22.91 56.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 mt -77.24 -67.74 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 170.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -41.91 -29.57 0.22 Allowed 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -87.13 -37.5 17.31 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.67 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -78.11 1.74 20.22 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 119.877 1.217 . . . . 0.0 114.224 171.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -63.03 1.26 Allowed 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 125.429 1.492 . . . . 0.0 112.702 -170.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.16 12.85 66.55 Favored Glycine 0 CA--C 1.547 2.058 0 C-N-CA 125.181 1.372 . . . . 0.0 115.604 169.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.262 1.4 tt -80.09 -65.4 1.01 Allowed 'General case' 0 CA--C 1.564 1.488 0 CA-C-O 115.818 -2.039 . . . . 0.0 109.106 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -175.35 78.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.602 2.001 . . . . 0.0 109.228 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -154.91 128.9 8.79 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.1 p -144.5 89.41 2.0 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 169.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.7 t -148.44 157.03 43.21 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.514 1.126 . . . . 0.0 111.789 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.07 -35.19 71.8 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -49.81 -44.02 48.95 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.99 -36.16 62.62 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 126.617 1.967 . . . . 0.0 114.541 168.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.0 -38.17 13.0 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.604 1.962 . . . . 0.0 110.584 -169.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.14 -48.98 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.564 0 C-N-CA 128.519 2.728 . . . . 0.0 110.635 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.03 -45.59 75.2 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 125.429 1.492 . . . . 0.0 114.359 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -62.11 -35.31 78.33 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.7 m -62.14 -49.56 75.38 Favored 'General case' 0 CA--C 1.58 2.126 0 C-N-CA 125.341 1.456 . . . . 0.0 113.666 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -78.85 -35.3 44.11 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 115.948 -1.977 . . . . 0.0 116.25 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -62.48 -45.88 91.01 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 121.647 2.022 . . . . 0.0 115.576 170.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -64.15 -39.63 94.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m -70.03 -43.39 71.39 Favored 'General case' 0 CA--C 1.58 2.113 0 CA-C-O 117.309 -1.329 . . . . 0.0 112.67 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.9 mt -57.08 -42.96 81.66 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 116.895 -1.526 . . . . 0.0 114.103 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p -63.11 -27.53 69.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 168.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -69.37 -42.08 75.67 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 116.592 -1.671 . . . . 0.0 114.813 169.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -72.07 -34.2 68.53 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 121.422 1.919 . . . . 0.0 113.387 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.04 -43.02 99.84 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 169.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.71 -43.14 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.381 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.68 -33.43 64.12 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -88.59 -53.06 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 CA-C-O 115.191 -2.338 . . . . 0.0 109.155 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.34 -43.48 77.4 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.896 2.589 . . . . 0.0 113.562 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.5 m -60.98 -27.51 68.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.795 1.634 . . . . 0.0 114.698 168.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.57 -41.72 62.56 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 125.503 1.521 . . . . 0.0 111.687 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.02 -34.56 76.44 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.74 -43.4 90.24 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 117.159 -1.401 . . . . 0.0 114.216 169.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.9 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.5 m -67.0 -49.51 65.13 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-N 120.653 1.569 . . . . 0.0 113.431 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.62 -47.04 73.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 116.138 -1.887 . . . . 0.0 113.835 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 54.7 m -66.66 -37.13 84.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 171.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.04 -16.56 63.17 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 115.944 -1.979 . . . . 0.0 114.818 168.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.15 -42.89 36.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 121.394 1.906 . . . . 0.0 114.981 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -87.8 -23.36 24.08 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 117.13 2.271 . . . . 0.0 117.13 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.57 -62.8 1.43 Allowed 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 113.213 -3.279 . . . . 0.0 102.177 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -93.43 82.69 4.46 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-O 127.094 3.331 . . . . 0.0 109.654 166.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -102.38 -32.55 9.94 Favored 'General case' 0 CA--C 1.566 1.561 2 N-CA-C 94.063 -6.273 . . . . 0.0 94.063 162.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 54.7 mttm . . . . . 0 C--N 1.375 1.695 0 CA-C-N 112.537 -2.119 . . . . 0.0 108.373 167.387 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 102.639 -3.097 . . . . 0.0 102.639 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.09 -27.86 67.69 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -66.38 -45.51 79.83 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.92 -34.94 78.88 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 117.002 -1.475 . . . . 0.0 114.016 169.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.67 -42.91 84.51 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.939 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.25 -41.76 97.45 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.67 168.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.03 -40.78 86.07 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 116.384 -1.77 . . . . 0.0 115.398 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -65.66 -44.2 87.05 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.34 -40.97 81.4 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.22 -19.07 65.72 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.73 -47.28 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 CA-C-O 116.049 -1.929 . . . . 0.0 111.823 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.87 -27.64 44.13 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.35 -49.11 52.72 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.668 1.187 . . . . 0.0 112.595 169.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.261 28.0 mt -53.84 -54.96 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.9 0 C-N-CA 126.222 1.809 . . . . 0.0 110.79 169.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -53.92 -31.4 50.05 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.77 41.89 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-O 118.313 -1.27 . . . . 0.0 114.495 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -59.76 -29.86 68.47 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 116.76 -1.591 . . . . 0.0 115.234 168.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -69.42 -53.49 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 CA-C-O 116.392 -1.766 . . . . 0.0 109.459 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -48.97 -40.81 31.91 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 169.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -64.74 -15.56 61.71 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mm -77.87 -67.78 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.219 0 CA-C-O 115.245 -2.312 . . . . 0.0 105.761 169.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.48 10.49 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.34 -46.86 38.05 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.847 -1.549 . . . . 0.0 111.923 169.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.9 -42.72 73.02 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 116.067 -1.921 . . . . 0.0 113.654 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 t -60.47 -46.71 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 120.872 1.669 . . . . 0.0 110.864 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.34 -34.75 66.88 Favored 'General case' 0 N--CA 1.508 2.436 0 CA-C-N 120.517 1.508 . . . . 0.0 113.895 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 25.7 tt0 -68.99 -39.18 79.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-O 117.039 -1.457 . . . . 0.0 113.431 168.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.8 t -47.63 -44.84 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.275 0 CA-C-N 120.573 1.533 . . . . 0.0 112.285 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -67.13 -35.23 79.28 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 116.168 -1.872 . . . . 0.0 115.289 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 26.9 ptt180 -74.51 -22.71 58.91 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 120.95 1.704 . . . . 0.0 113.436 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -75.41 -59.2 2.85 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 125.957 1.703 . . . . 0.0 114.219 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.22 -38.97 92.95 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -169.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 m -77.65 -38.91 46.77 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 116.041 -1.933 . . . . 0.0 115.593 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.85 67.87 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -86.03 -28.53 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 CA-C-O 115.177 -2.344 . . . . 0.0 108.121 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -73.29 -14.26 61.28 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-N 123.921 3.055 . . . . 0.0 110.022 165.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.0 -54.56 5.68 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 115.133 -2.365 . . . . 0.0 107.49 166.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -93.54 75.43 0.03 OUTLIER Pre-proline 0 CA--C 1.586 2.362 0 CA-C-N 122.774 2.533 . . . . 0.0 110.268 166.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.3 -9.12 3.14 Favored 'Trans proline' 0 C--N 1.385 2.491 0 CA-C-N 127.861 3.843 . . . . 0.0 117.856 168.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -129.55 77.66 76.82 Favored Pre-proline 0 CA--C 1.588 2.436 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -86.45 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 123.806 3.004 . . . . 0.0 112.866 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 159.39 33.17 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.958 1.303 . . . . 0.0 112.324 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.99 -24.8 25.89 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -35.69 77.5 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 169.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.8 p -70.0 -62.4 1.4 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.815 -1.564 . . . . 0.0 112.951 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -73.98 -44.67 53.94 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 120.004 1.274 . . . . 0.0 113.219 -169.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.08 -35.74 48.6 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 168.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.35 -18.36 49.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 115.249 -2.31 . . . . 0.0 115.395 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.667 2.94 . . . . 0.0 114.814 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.96 -22.55 67.02 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 116.919 -1.515 . . . . 0.0 113.241 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.78 -50.92 21.31 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 114.514 -2.66 . . . . 0.0 112.531 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.38 -41.99 94.92 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 123.278 2.763 . . . . 0.0 115.978 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.79 -42.81 73.27 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.153 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.8 p -64.43 -32.12 73.61 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 168.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.33 -46.72 85.31 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.623 1.569 . . . . 0.0 115.164 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.9 mt -74.39 -33.83 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 CA-C-O 116.239 -1.839 . . . . 0.0 110.29 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -60.44 -45.11 94.86 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 121.126 1.784 . . . . 0.0 113.977 169.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -72.58 -45.0 61.29 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 116.378 -1.772 . . . . 0.0 114.16 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 m -70.91 -48.71 52.16 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 115.273 -2.299 . . . . 0.0 112.683 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.21 89.37 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 114.617 -2.611 . . . . 0.0 114.136 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.8 -31.69 72.8 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 122.682 2.492 . . . . 0.0 115.872 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.51 -42.45 87.73 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.27 -53.76 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 C-N-CA 125.759 1.624 . . . . 0.0 114.401 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -55.04 -49.67 70.99 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.784 1.633 . . . . 0.0 113.849 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -60.12 -21.45 61.59 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -89.58 -39.44 13.27 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.321 1.3 tt -64.76 -38.75 92.04 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.337 1.855 . . . . 0.0 113.521 171.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -57.98 -41.83 83.79 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.485 1.948 . . . . 0.0 114.124 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -53.04 -26.76 16.82 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 168.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -72.13 -48.07 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.341 0 CA-C-O 116.299 -1.81 . . . . 0.0 109.108 169.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -46.5 87.98 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.2 -39.51 82.85 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t -71.91 -26.45 62.31 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 169.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.4 mt -72.12 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 CA-C-O 117.062 -1.447 . . . . 0.0 108.111 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.48 -16.9 6.67 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -90.39 -35.19 15.33 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-N 120.895 1.679 . . . . 0.0 112.899 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.46 -5.27 41.63 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 124.464 1.105 . . . . 0.0 113.53 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.252 1.2 pt-20 -74.23 -62.27 1.57 Allowed 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 125.717 1.607 . . . . 0.0 112.615 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.9 -8.72 36.15 Favored Glycine 0 CA--C 1.555 2.547 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 tp -50.56 -23.85 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 169.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 69.84 80.75 0.18 Allowed 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 129.003 2.921 . . . . 0.0 108.948 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -38.48 5.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 119.592 3.182 . . . . 0.0 119.592 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 t 25.37 71.45 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 128.719 2.808 . . . . 0.0 116.815 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.0 t -139.89 153.25 46.94 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.493 1.117 . . . . 0.0 111.856 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.85 -25.43 35.11 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -54.6 -40.46 68.89 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.0 -25.62 67.16 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -90.29 -34.15 15.85 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.75 1.62 . . . . 0.0 109.981 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.1 mt -60.85 -47.23 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.79 0 C-N-CA 127.711 2.405 . . . . 0.0 109.302 167.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -54.98 -41.25 70.96 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.104 1.762 . . . . 0.0 115.151 170.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 168.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -59.84 -44.74 93.92 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 125.478 1.511 . . . . 0.0 113.868 172.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -79.96 -40.22 28.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 115.658 -2.115 . . . . 0.0 114.437 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -63.04 -45.81 90.51 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 122.22 2.282 . . . . 0.0 115.263 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 t -70.09 -32.79 71.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 m -76.87 -44.71 30.96 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.992 -1.48 . . . . 0.0 111.912 169.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -59.94 -45.29 93.1 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.669 169.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -61.36 -26.74 68.03 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 169.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -68.88 -41.62 78.06 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -75.94 -34.54 59.86 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.515 1.507 . . . . 0.0 112.754 168.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.03 -34.91 77.1 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.61 -44.76 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.827 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.23 -30.28 62.14 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 173.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.46 -58.16 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 114.587 -2.625 . . . . 0.0 107.768 173.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.6 mmm -66.2 -41.79 89.71 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 123.548 2.886 . . . . 0.0 114.209 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.4 t -61.93 -25.49 67.61 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 120.967 1.712 . . . . 0.0 115.492 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.61 -47.3 19.7 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 116.793 -1.575 . . . . 0.0 112.213 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.44 -27.29 64.21 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 170.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -64.63 -45.73 85.59 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 117.346 -1.311 . . . . 0.0 114.45 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.85 62.75 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 116.898 -1.525 . . . . 0.0 114.461 168.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.1 m -68.16 -35.86 78.73 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 116.065 -1.922 . . . . 0.0 115.454 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -71.87 -43.81 64.81 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 116.211 -1.852 . . . . 0.0 114.396 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.4 t -74.27 -41.37 61.35 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 121.245 1.839 . . . . 0.0 113.772 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.77 2.82 4.81 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.698 -1.62 . . . . 0.0 113.536 168.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 121.429 1.922 . . . . 0.0 108.264 165.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -156.71 46.55 0.43 Allowed 'General case' 0 N--CA 1.501 2.087 1 N-CA-C 123.802 4.741 . . . . 0.0 123.802 -167.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -84.24 -9.09 58.8 Favored 'General case' 0 N--CA 1.515 2.798 0 CA-C-N 112.136 -2.302 . . . . 0.0 108.025 165.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 138.57 -28.14 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.776 1 C-N-CA 134.406 5.083 . . . . 0.0 101.933 -168.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 t 47.9 46.04 18.83 Favored 'General case' 0 N--CA 1.524 3.241 1 CA-C-O 128.604 4.049 . . . . 0.0 112.775 -168.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt . . . . . 0 CA--C 1.545 0.765 1 CA-C-N 103.373 -6.285 . . . . 0.0 118.014 -167.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.562 1.426 0 CA-C-O 117.365 -1.302 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.21 -36.52 80.12 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.53 -48.18 15.78 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 116.368 -1.777 . . . . 0.0 113.124 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.08 -15.75 61.49 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.516 1.962 . . . . 0.0 114.276 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -68.24 -40.93 81.86 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.138 1.79 . . . . 0.0 110.426 167.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.36 -35.85 76.67 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.217 167.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -58.85 -48.24 82.06 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.13 -1.89 . . . . 0.0 113.901 168.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -60.89 -32.77 72.22 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.25 9.5 mt-10 -64.11 -47.78 78.65 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 126.358 1.863 . . . . 0.0 115.428 169.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.85 -14.57 62.0 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.95 -48.45 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 116.54 -1.695 . . . . 0.0 110.296 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.46 -28.72 31.92 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 169.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.06 -47.82 64.36 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.171 -1.395 . . . . 0.0 112.618 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.264 22.2 mt -55.12 -61.86 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 CA-C-N 120.142 1.337 . . . . 0.0 109.314 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -48.77 -34.34 12.08 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.7 -48.4 84.48 Favored Glycine 0 CA--C 1.557 2.658 0 CA-C-O 118.786 -1.008 . . . . 0.0 114.471 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -63.58 -36.57 84.25 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-O 116.797 -1.573 . . . . 0.0 114.894 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.84 -46.4 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.705 0 CA-C-N 120.779 1.627 . . . . 0.0 110.915 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.13 -43.17 99.43 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -67.64 -17.29 64.55 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -80.21 -65.55 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 CA-C-O 115.378 -2.249 . . . . 0.0 105.813 169.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -26.68 15.36 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.13 -44.05 55.19 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.938 -1.506 . . . . 0.0 112.605 169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -68.82 -43.95 74.49 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.472 1.487 . . . . 0.0 114.05 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.31 -46.49 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 C-N-CA 126.088 1.755 . . . . 0.0 110.99 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.8 -36.26 80.58 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 116.525 -1.703 . . . . 0.0 115.099 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.27 -36.78 85.17 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 120.636 1.562 . . . . 0.0 114.939 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.76 -53.95 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.013 0 C-N-CA 125.391 1.476 . . . . 0.0 110.888 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.5 -15.75 40.84 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -49.87 18.66 Favored 'General case' 0 CA--C 1.589 2.447 0 C-N-CA 124.352 1.061 . . . . 0.0 109.433 167.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -81.85 -44.25 17.14 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.432 1.493 . . . . 0.0 114.124 -172.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -50.5 -26.62 5.36 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 119.033 2.975 . . . . 0.0 119.033 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -90.05 -12.72 37.67 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 170.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.55 -31.41 22.7 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 117.001 -1.476 . . . . 0.0 109.826 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.79 -33.77 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 114.366 -2.731 . . . . 0.0 114.772 -168.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 63' ' ' ALA . 1.1 pp -38.67 -32.88 0.09 Allowed 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 124.402 3.274 . . . . 0.0 116.027 169.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' HD12 ' A' ' 62' ' ' LEU 0.336 . . -140.94 36.41 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 127.95 2.5 . . . . 0.0 115.628 -172.073 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -23.43 75.56 0.01 OUTLIER Pre-proline 0 CA--C 1.595 2.703 0 N-CA-C 119.894 3.294 . . . . 0.0 119.894 -162.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -67.66 -18.94 48.32 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 123.935 3.09 . . . . 0.0 113.87 167.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -135.33 -49.75 0.02 OUTLIER Pre-proline 0 CA--C 1.585 2.3 1 CA-C-O 111.319 -4.181 . . . . 0.0 109.332 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . 0.267 31.0 Cg_endo -61.12 -165.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.406 3.558 1 CA-C-N 129.714 4.505 . . . . 0.0 116.336 -172.408 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 178.48 154.07 0.37 Allowed 'General case' 0 N--CA 1.52 3.044 0 C-N-CA 127.603 2.361 . . . . 0.0 107.429 -167.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 45.72 58.75 4.07 Favored 'General case' 1 N--CA 1.551 4.59 0 CA-C-O 125.342 2.496 . . . . 0.0 107.534 -168.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 72' ' ' LYS . 12.4 tptp -28.31 82.79 0.0 OUTLIER 'General case' 0 CA--C 1.488 -1.424 1 CA-C-N 106.003 -5.09 . . . . 0.0 117.331 -163.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 p -20.48 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.368 3 CA-C-N 99.857 -7.883 . . . . 0.0 118.205 -167.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' LYS . 30.2 mmtp -91.27 -18.81 23.76 Favored 'General case' 0 N--CA 1.472 0.674 1 CA-C-N 106.736 -4.756 . . . . 0.0 106.768 169.091 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.19 -34.32 66.12 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.19 -32.09 16.76 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 115.633 -2.127 . . . . 0.0 115.324 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.65 -34.97 79.04 Favored 'General case' 0 N--CA 1.507 2.393 0 CA-C-N 122.747 2.521 . . . . 0.0 115.086 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.07 -18.54 63.48 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 121.675 2.034 . . . . 0.0 115.339 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.45 -50.15 11.23 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 114.96 -2.448 . . . . 0.0 110.772 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.96 -37.25 29.7 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 122.886 2.585 . . . . 0.0 117.474 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.1 mtt -70.16 -45.84 65.91 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.683 2.038 . . . . 0.0 113.291 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -64.7 -20.49 66.35 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.17 -47.24 52.35 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 124.907 1.283 . . . . 0.0 113.869 169.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -65.78 -41.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.318 0 CA-C-O 116.415 -1.755 . . . . 0.0 110.465 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.54 -45.75 84.71 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 120.826 1.648 . . . . 0.0 114.394 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -65.53 -47.26 76.54 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 120.401 1.455 . . . . 0.0 114.729 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 m -70.24 -63.19 1.13 Allowed 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 115.455 -2.212 . . . . 0.0 110.07 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.36 -33.02 12.58 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.41 -43.35 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 116.332 -1.794 . . . . 0.0 113.861 169.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.74 -35.27 75.96 Favored 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 120.983 1.719 . . . . 0.0 114.939 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.09 -54.86 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 C-N-CA 125.838 1.655 . . . . 0.0 109.348 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -55.78 -43.33 76.69 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-N 120.426 1.466 . . . . 0.0 114.596 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 -30.48 71.38 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -70.23 -33.18 71.34 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.36 -46.47 73.27 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 117.169 -1.396 . . . . 0.0 114.001 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.07 -27.44 68.35 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 115.389 -2.243 . . . . 0.0 116.44 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.3 p -68.75 -31.38 70.39 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.944 2.156 . . . . 0.0 116.569 168.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.8 mm -74.36 -47.9 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 116.688 -1.625 . . . . 0.0 110.18 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.72 -44.06 97.1 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -63.12 -39.57 95.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.3 m -69.11 -20.73 64.07 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.1 mt -78.79 -65.74 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.415 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -50.83 -23.58 2.88 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.924 2.564 . . . . 0.0 117.924 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -80.89 -47.4 13.82 Favored 'General case' 0 CA--C 1.574 1.884 0 CA-C-N 120.71 1.596 . . . . 0.0 112.461 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.45 -12.29 59.94 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.344 1.4 tp10 -68.29 -63.71 1.01 Allowed 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 126.514 1.926 . . . . 0.0 112.953 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.22 -3.35 4.99 Favored Glycine 0 CA--C 1.565 3.2 0 N-CA-C 118.506 2.162 . . . . 0.0 118.506 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -35.11 74.31 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.263 40.7 p-10 99.06 90.26 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 130.717 3.607 . . . . 0.0 107.122 -170.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -126.3 161.31 28.08 Favored 'General case' 0 CA--C 1.574 1.868 0 C-N-CA 124.857 1.263 . . . . 0.0 113.883 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.4 p -147.77 89.02 1.72 Allowed 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 167.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.2 t -144.77 158.04 43.94 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 124.747 1.219 . . . . 0.0 112.13 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.46 -15.17 3.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 118.82 2.896 . . . . 0.0 118.82 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.03 -36.74 84.08 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.624 1.712 . . . . 0.0 115.624 171.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.53 -20.33 65.41 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.56 -32.76 36.55 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 126.901 2.08 . . . . 0.0 109.644 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.257 15.9 mt -65.57 -50.21 73.22 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.927 0 C-N-CA 128.063 2.545 . . . . 0.0 107.552 166.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -52.89 -44.34 66.84 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 126.26 1.824 . . . . 0.0 114.564 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -61.41 -36.08 79.3 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 125.704 1.602 . . . . 0.0 114.886 168.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -63.38 -48.88 76.06 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 125.301 1.44 . . . . 0.0 113.54 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.82 75.34 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 169.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.31 -36.75 85.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.019 -1.943 . . . . 0.0 115.057 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -70.15 -32.48 70.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.9 m -72.04 -48.66 42.83 Favored 'General case' 0 CA--C 1.582 2.204 0 CA-C-O 117.254 -1.355 . . . . 0.0 112.014 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -69.27 -41.26 77.11 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.362 -1.78 . . . . 0.0 115.435 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -56.71 -42.16 78.66 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.113 1.779 . . . . 0.0 114.872 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.75 -33.33 73.72 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 117.53 -1.224 . . . . 0.0 113.423 168.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.84 -44.24 97.23 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 169.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.52 -46.8 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 C-N-CA 125.635 1.574 . . . . 0.0 110.016 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.39 -13.43 0.57 Allowed 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -108.0 -57.06 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 116.509 -1.71 . . . . 0.0 107.403 169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.4 tpt -58.73 -39.4 80.75 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 121.263 1.847 . . . . 0.0 115.51 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.9 p -68.28 -33.07 73.68 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 169.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -71.49 -40.74 70.0 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 116.843 -1.551 . . . . 0.0 112.917 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -64.77 -32.9 74.79 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.819 169.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -57.86 -43.45 85.94 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 120.41 1.459 . . . . 0.0 114.375 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.5 -25.73 60.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 169.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.2 m -58.7 -44.37 90.29 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 120.305 1.412 . . . . 0.0 114.404 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -69.5 -47.31 64.24 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.7 t -66.44 -48.54 69.63 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 115.418 -2.229 . . . . 0.0 114.499 170.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.49 -29.69 37.41 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.48 -3.86 16.33 Favored 'General case' 0 CA--C 1.58 2.103 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -125.85 -31.51 2.9 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.824 1.647 . . . . 0.0 113.042 -169.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.94 -59.35 2.8 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 114.86 -2.495 . . . . 0.0 105.578 167.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -98.82 73.51 2.0 Favored 'General case' 0 CA--C 1.586 2.358 0 CA-C-O 128.201 3.858 . . . . 0.0 110.662 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.1 t -107.28 -31.19 8.31 Favored 'General case' 0 CA--C 1.565 1.551 2 N-CA-C 93.68 -6.415 . . . . 0.0 93.68 162.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt . . . . . 0 C--N 1.38 1.907 0 C-N-CA 129.645 3.178 . . . . 0.0 107.281 165.857 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 116.663 -1.637 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.78 -47.2 75.96 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.378 1.899 . . . . 0.0 114.788 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -80.95 -37.54 29.28 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.402 -1.761 . . . . 0.0 114.763 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.4 mtp -69.18 -38.71 78.81 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 116.096 -1.907 . . . . 0.0 113.579 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.11 -42.27 94.36 Favored 'General case' 0 N--CA 1.505 2.285 0 CA-C-N 121.63 2.014 . . . . 0.0 114.223 169.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.21 -30.67 71.59 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.506 1.503 . . . . 0.0 114.464 168.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.63 -46.73 88.53 Favored 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 116.473 -1.727 . . . . 0.0 115.337 170.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.05 -37.47 75.55 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.39 -42.25 91.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -67.26 -27.41 67.18 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.63 -47.54 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-O 116.274 -1.822 . . . . 0.0 111.534 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -56.68 -29.91 62.85 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.6 -31.23 52.82 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.687 1.13 . . . . 0.0 113.457 168.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.257 24.1 mt -62.76 -60.9 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.744 0 C-N-CA 124.797 1.239 . . . . 0.0 108.921 169.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -45.28 -33.88 2.62 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.52 65.94 Favored Glycine 0 CA--C 1.555 2.539 0 CA-C-O 118.305 -1.275 . . . . 0.0 114.621 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.34 -38.87 91.17 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.389 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.34 -48.84 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 C-N-CA 125.671 1.588 . . . . 0.0 111.409 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.68 -44.53 85.86 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 169.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -59.8 -27.25 66.42 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -73.21 -64.02 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.253 0 CA-C-O 115.325 -2.274 . . . . 0.0 106.776 169.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.19 26.36 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.39 -47.63 47.78 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 117.167 -1.397 . . . . 0.0 112.267 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -68.92 -41.94 77.46 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 116.454 -1.736 . . . . 0.0 113.873 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.7 -47.0 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.804 -2.046 . . . . 0.0 110.76 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.41 -34.33 72.33 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 121.364 1.893 . . . . 0.0 115.432 169.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.97 -47.8 76.3 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -46.56 -48.81 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.305 0 C-N-CA 125.209 1.404 . . . . 0.0 111.592 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.8 -29.27 70.59 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.252 -1.832 . . . . 0.0 115.622 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -78.07 -34.28 50.41 Favored 'General case' 0 N--CA 1.511 2.618 0 CA-C-N 120.504 1.502 . . . . 0.0 112.728 168.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.88 -42.74 60.28 Favored 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 125.948 1.699 . . . . 0.0 115.552 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -37.33 82.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 -168.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.1 m -89.98 -17.09 28.53 Favored 'General case' 0 N--CA 1.513 2.686 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 -23.0 22.64 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.596 168.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.545 HD13 ' HB ' ' A' ' 71' ' ' THR . 13.5 mt -109.5 -33.34 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 CA-C-O 114.605 -2.616 . . . . 0.0 112.659 -171.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -25.3 0.06 Allowed 'General case' 0 N--CA 1.519 2.996 0 CA-C-N 124.254 3.206 . . . . 0.0 117.389 169.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . 0.3 . . -143.58 39.99 1.41 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 127.182 2.193 . . . . 0.0 114.269 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.3 m -23.62 74.86 0.0 OUTLIER Pre-proline 0 CA--C 1.588 2.426 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -164.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -73.77 -9.46 22.51 Favored 'Trans proline' 0 C--N 1.403 3.404 0 C-N-CA 123.737 2.958 . . . . 0.0 114.865 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' H ' ' HD2' ' A' ' 67' ' ' PRO . 11.1 t-20 -137.29 -52.24 0.02 OUTLIER Pre-proline 0 CA--C 1.591 2.548 0 CA-C-O 112.026 -3.845 . . . . 0.0 108.673 170.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HD2' ' H ' ' A' ' 66' ' ' ASN . 97.1 Cg_endo -68.56 -168.21 0.21 Allowed 'Trans proline' 0 C--N 1.404 3.456 1 CA-C-N 128.949 4.232 . . . . 0.0 114.549 -176.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -150.25 -172.36 4.15 Favored 'General case' 0 CA--C 1.582 2.206 0 C-N-CA 126.918 2.087 . . . . 0.0 107.64 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.39 -25.57 16.09 Favored 'General case' 0 N--CA 1.512 2.633 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -37.67 46.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 169.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.545 ' HB ' HD13 ' A' ' 61' ' ' ILE . 22.5 p -73.5 -44.87 56.8 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 116.083 -1.913 . . . . 0.0 114.39 169.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.26 -37.86 69.0 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 121.197 1.817 . . . . 0.0 114.112 -169.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.75 -36.4 64.77 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 169.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -75.74 -25.38 56.51 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-O 116.858 -1.544 . . . . 0.0 114.18 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.75 -32.61 71.89 Favored 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 120.98 1.718 . . . . 0.0 115.497 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.72 -22.49 66.06 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 117.521 -1.228 . . . . 0.0 114.098 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.69 -52.66 10.01 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 115.375 -2.25 . . . . 0.0 112.414 170.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -36.24 82.35 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 122.4 2.364 . . . . 0.0 116.848 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -66.49 -44.94 81.23 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.987 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -65.49 -24.68 67.21 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 168.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.54 -41.95 71.85 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.907 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.08 -39.36 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.546 0 CA-C-N 121.638 2.017 . . . . 0.0 110.505 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.72 -45.99 85.02 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-N 121.818 2.099 . . . . 0.0 114.602 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.77 -47.18 63.89 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.573 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -67.32 -49.57 63.61 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 115.791 -2.052 . . . . 0.0 112.957 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 -40.19 68.66 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 115.195 -2.336 . . . . 0.0 115.416 170.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -67.93 -34.49 76.7 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 121.33 1.877 . . . . 0.0 116.039 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -63.05 -42.75 99.78 Favored 'General case' 0 CA--C 1.582 2.179 0 CA-C-N 120.471 1.487 . . . . 0.0 114.468 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 p -79.36 -53.95 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.873 -1.537 . . . . 0.0 113.882 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.254 28.1 ptt180 -57.29 -43.89 83.57 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 120.623 1.556 . . . . 0.0 113.849 -172.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.6 m -69.88 -16.25 63.21 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -88.86 -36.99 15.68 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 120.478 1.49 . . . . 0.0 112.955 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.339 1.7 tt -62.25 -44.27 96.94 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 112.8 169.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -37.8 74.94 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 116.096 -1.906 . . . . 0.0 114.458 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 m -53.99 -28.56 38.56 Favored 'General case' 0 N--CA 1.505 2.275 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.0 mm -70.02 -46.51 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.423 0 CA-C-O 116.686 -1.626 . . . . 0.0 107.477 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -44.04 84.18 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 169.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.91 -42.86 94.8 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.0 m -67.64 -23.12 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 172.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.06 -60.32 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.41 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.038 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -49.13 -31.28 7.9 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 170.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -74.44 -9.37 58.52 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -114.45 -16.29 11.95 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 125.49 1.516 . . . . 0.0 113.411 169.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.336 23.6 tt0 -57.37 -58.33 8.75 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 128.684 2.794 . . . . 0.0 116.239 170.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.49 -22.72 25.0 Favored Glycine 0 CA--C 1.555 2.593 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.4 -4.25 10.59 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 116.318 1.969 . . . . 0.0 116.318 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 62.28 73.7 0.46 Allowed 'General case' 0 N--CA 1.508 2.45 0 C-N-CA 128.058 2.543 . . . . 0.0 111.395 -169.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -153.46 130.94 11.38 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.8 p -166.11 92.11 0.49 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.9 m -161.04 126.15 3.67 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.463 0.705 . . . . 0.0 112.241 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.401 ' H ' ' HD3' ' A' ' 114' ' ' ARG . . . 46.98 -40.54 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 1 N-CA-C 121.923 4.045 . . . . 0.0 121.923 169.548 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.09 -52.63 9.75 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.852 1.661 . . . . 0.0 113.905 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.64 -2.8 44.3 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.401 ' HD3' ' H ' ' A' ' 111' ' ' ALA . 56.3 mtp180 -91.07 -47.28 7.64 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 125.31 1.444 . . . . 0.0 109.336 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.27 4.4 mt -51.81 -50.05 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 126.665 1.986 . . . . 0.0 111.56 168.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.84 -42.77 98.42 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 125.159 1.384 . . . . 0.0 114.076 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -67.07 -28.02 67.84 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 m -63.02 -48.18 79.87 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.177 1.353 . . . . 0.0 113.745 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -77.59 -45.11 26.23 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 115.353 -2.26 . . . . 0.0 113.502 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -47.46 -51.55 19.87 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 122.223 2.283 . . . . 0.0 115.208 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -73.03 -31.1 64.23 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -71.72 -46.98 56.94 Favored 'General case' 0 CA--C 1.582 2.202 0 CA-C-N 120.784 1.629 . . . . 0.0 112.399 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.41 -42.8 99.31 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 170.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -62.85 -32.47 73.7 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 116.998 -1.477 . . . . 0.0 114.879 168.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -61.19 -47.86 84.2 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 116.893 -1.527 . . . . 0.0 113.375 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -64.56 -25.05 67.81 Favored 'General case' 0 CA--C 1.578 2.038 0 CA-C-N 119.912 1.233 . . . . 0.0 114.24 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.92 -43.1 93.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 169.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.05 -43.06 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 C-N-CA 125.393 1.477 . . . . 0.0 110.282 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.57 -12.61 1.85 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.53 -59.98 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 CA-C-O 115.697 -2.097 . . . . 0.0 107.251 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mmm -63.29 -37.98 89.36 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.335 2.334 . . . . 0.0 114.985 -171.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -63.06 -28.05 69.82 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.88 -45.78 26.94 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 116.6 -1.667 . . . . 0.0 112.132 169.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -61.35 -26.02 67.54 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 169.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.84 -42.95 99.67 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.358 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.01 60.88 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.1 m -69.74 -47.43 63.06 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.482 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.09 -43.03 95.81 Favored 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 120.517 1.508 . . . . 0.0 114.514 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.9 m -66.94 -28.14 68.05 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 115.893 -2.003 . . . . 0.0 114.9 168.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.49 -31.22 70.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 169.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.02 -30.94 68.39 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -133.49 -0.65 3.21 Favored 'General case' 0 N--CA 1.514 2.762 0 N-CA-C 119.058 2.984 . . . . 0.0 119.058 -169.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.33 -49.67 13.19 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.796 1.238 . . . . 0.0 109.362 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 146' ' ' LYS . 56.3 ttt180 -84.83 -73.96 0.41 Allowed 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 102.359 -3.2 . . . . 0.0 102.359 167.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.47 5.04 0.03 OUTLIER 'General case' 0 N--CA 1.526 3.33 0 CA-C-O 124.931 2.301 . . . . 0.0 112.782 -165.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 144' ' ' ARG . 9.9 ptpp? . . . . . 0 N--CA 1.5 2.05 0 C-N-CA 131.216 3.806 . . . . 0.0 116.612 -167.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.95 -43.57 78.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.88 -39.22 30.94 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 116.474 -1.727 . . . . 0.0 114.419 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.5 mtp -69.35 -41.86 76.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-O 116.015 -1.945 . . . . 0.0 113.049 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.05 -41.36 74.93 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 121.413 1.915 . . . . 0.0 114.938 169.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.57 -39.12 93.16 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 120.034 1.288 . . . . 0.0 113.42 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -61.01 -41.54 96.74 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 116.31 -1.805 . . . . 0.0 115.652 169.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.5 -32.62 72.71 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.327 0.5 OUTLIER -73.31 -46.41 49.67 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 125.435 1.494 . . . . 0.0 114.665 176.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.67 -38.0 85.91 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -45.93 -44.07 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -62.13 -41.62 98.43 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.558 -1.687 . . . . 0.0 114.66 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.46 -31.46 69.77 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.48 -55.13 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 CA-C-O 116.443 -1.741 . . . . 0.0 108.586 169.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -44.43 -33.98 1.88 Allowed 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.12 48.04 Favored Glycine 0 CA--C 1.554 2.469 0 C-N-CA 124.893 1.235 . . . . 0.0 113.908 168.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.93 -27.19 69.2 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 116.513 -1.708 . . . . 0.0 115.096 168.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.58 -59.48 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.69 0 CA-C-O 116.633 -1.651 . . . . 0.0 109.014 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.65 -36.77 47.51 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 170.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -63.23 -21.59 66.32 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.56 -67.59 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.225 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.67 29.15 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 118.586 2.81 . . . . 0.0 118.586 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -76.51 -45.45 30.83 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.761 -1.59 . . . . 0.0 112.059 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.68 -43.71 71.95 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.95 1.705 . . . . 0.0 113.831 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.6 -46.13 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 C-N-CA 126.163 1.785 . . . . 0.0 110.82 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.59 -33.75 68.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 120.486 1.493 . . . . 0.0 113.943 168.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -66.76 -43.42 84.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 168.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -46.89 -46.54 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.184 0 C-N-CA 125.797 1.639 . . . . 0.0 112.455 169.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.64 -31.52 70.72 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-O 115.806 -2.045 . . . . 0.0 115.636 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.97 -25.74 61.11 Favored 'General case' 0 CA--C 1.586 2.335 0 CA-C-N 121.332 1.878 . . . . 0.0 112.62 168.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.24 -65.18 1.03 Allowed 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.442 1.897 . . . . 0.0 112.529 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -48.69 -38.55 21.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.0 t -82.19 -31.28 30.45 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.03 -16.95 57.64 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 122.011 2.187 . . . . 0.0 114.839 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt -93.01 -34.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 127.548 2.339 . . . . 0.0 106.055 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.28 -30.08 70.88 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 122.383 2.356 . . . . 0.0 112.114 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.69 -53.53 7.87 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 115.273 -2.298 . . . . 0.0 111.098 168.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.7 m -93.29 76.96 0.04 OUTLIER Pre-proline 0 CA--C 1.582 2.181 0 CA-C-N 122.474 2.397 . . . . 0.0 110.608 167.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -58.53 -8.63 5.7 Favored 'Trans proline' 0 C--N 1.384 2.445 0 CA-C-N 127.319 3.65 . . . . 0.0 117.292 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.61 77.92 76.31 Favored Pre-proline 0 CA--C 1.586 2.363 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -89.04 -164.57 0.17 Allowed 'Trans proline' 0 C--N 1.392 2.825 0 C-N-CA 123.993 3.129 . . . . 0.0 113.242 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.53 164.74 26.03 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 125.035 1.334 . . . . 0.0 112.471 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.63 -26.7 23.3 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -55.81 -38.59 70.19 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 169.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.5 p -75.82 -64.27 1.12 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.027 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -75.06 -37.52 61.62 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 116.687 -1.625 . . . . 0.0 113.676 -169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.11 -37.41 71.92 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 120.621 1.555 . . . . 0.0 113.386 168.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.9 -13.74 59.78 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.333 -2.27 . . . . 0.0 114.954 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -48.65 66.62 Favored 'General case' 0 N--CA 1.507 2.386 0 CA-C-N 123.337 2.789 . . . . 0.0 113.928 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.86 -27.77 69.39 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -73.07 -52.8 12.97 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.336 -2.269 . . . . 0.0 112.976 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.12 -42.53 84.34 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 122.048 2.204 . . . . 0.0 115.959 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 mmt -66.14 -44.85 82.99 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 117.146 -1.406 . . . . 0.0 113.637 171.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -65.33 -25.83 67.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 168.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.18 -46.24 81.61 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 170.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 mt -69.91 -36.44 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 CA-C-O 116.27 -1.824 . . . . 0.0 110.684 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.39 -49.98 74.73 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 121.062 1.755 . . . . 0.0 113.512 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.36 -43.93 72.58 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 116.7 -1.619 . . . . 0.0 114.304 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 m -68.94 -49.92 53.84 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 115.672 -2.108 . . . . 0.0 112.907 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.58 89.7 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.147 -2.359 . . . . 0.0 114.654 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.91 -33.63 76.02 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 121.487 1.948 . . . . 0.0 115.998 170.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -61.5 -36.87 81.72 Favored 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 p -90.28 -53.72 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 125.658 1.583 . . . . 0.0 113.32 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -57.34 -42.24 81.55 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.053 1.297 . . . . 0.0 114.33 -170.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 m -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.48 -36.67 20.42 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.809 1.641 . . . . 0.0 112.307 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.31 1.3 tt -67.47 -38.56 84.6 Favored 'General case' 0 CA--C 1.583 2.234 0 C-N-CA 125.847 1.659 . . . . 0.0 112.319 169.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.9 -29.98 70.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 115.535 -2.174 . . . . 0.0 114.323 168.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -62.07 -22.29 65.66 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 121.747 2.067 . . . . 0.0 115.971 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.9 mm -77.12 -54.93 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 CA-C-O 115.879 -2.01 . . . . 0.0 108.044 169.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.61 -34.58 74.45 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-N 121.751 2.069 . . . . 0.0 116.113 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -63.11 -41.64 99.39 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.902 1.681 . . . . 0.0 114.882 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -69.65 -31.93 70.3 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.11 -54.94 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.074 0 CA-C-O 116.371 -1.776 . . . . 0.0 107.546 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.99 -19.22 51.2 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -82.57 -42.9 17.72 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 116.464 -1.731 . . . . 0.0 112.711 170.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.49 -34.93 70.58 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 116.812 -1.566 . . . . 0.0 113.974 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.317 4.1 tt0 -48.93 -55.78 10.78 Favored 'General case' 0 CA--C 1.58 2.096 0 C-N-CA 126.481 1.912 . . . . 0.0 114.928 169.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -42.57 -31.25 1.02 Allowed Glycine 0 N--CA 1.496 2.66 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 169.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.28 -11.71 16.58 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 168.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 73.58 83.53 0.12 Allowed 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 128.247 2.619 . . . . 0.0 108.934 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -145.84 142.31 28.7 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.67 1.188 . . . . 0.0 109.698 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -140.95 107.8 5.4 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.2 t -143.41 152.59 41.75 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.65 72.38 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -37.4 54.74 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.439 HD12 HH21 ' A' ' 116' ' ' ARG . 15.1 tp -63.64 -33.45 75.65 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 125.799 1.64 . . . . 0.0 114.978 169.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -90.82 -38.45 12.96 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.661 1.584 . . . . 0.0 110.192 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 47.2 mt -51.7 -37.3 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.777 0 C-N-CA 127.623 2.369 . . . . 0.0 110.158 167.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.439 HH21 HD12 ' A' ' 113' ' ' LEU . 13.8 mtm180 -61.44 -46.94 87.97 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.658 1.583 . . . . 0.0 113.025 170.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -63.54 -23.16 67.27 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -63.58 -48.88 75.6 Favored 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.854 1.262 . . . . 0.0 113.503 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -76.08 -40.26 53.48 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 116.011 -1.947 . . . . 0.0 113.974 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.76 -35.06 79.34 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 115.751 -2.071 . . . . 0.0 115.842 170.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -36.01 75.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 169.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m -71.03 -45.73 63.38 Favored 'General case' 0 CA--C 1.583 2.234 0 CA-C-N 119.923 1.238 . . . . 0.0 111.89 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -47.31 86.67 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.664 1.585 . . . . 0.0 114.759 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.4 t -67.88 -45.7 73.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 115.925 -1.988 . . . . 0.0 114.971 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -52.6 -42.22 64.37 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 121.468 1.94 . . . . 0.0 114.813 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -68.05 -33.2 74.12 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 117.448 -1.263 . . . . 0.0 113.392 168.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -40.93 97.14 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 171.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.35 -38.82 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.926 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.82 -6.9 0.6 Allowed 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 169.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.14 -54.41 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 116.685 -1.626 . . . . 0.0 112.653 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.3 mmm -62.82 -40.9 98.82 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.048 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -63.75 -25.72 68.32 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 168.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.05 -41.78 49.67 Favored 'General case' 0 CA--C 1.573 1.843 0 CA-C-O 116.557 -1.687 . . . . 0.0 111.458 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.19 -31.57 63.56 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -64.35 -45.4 87.96 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 117.661 -1.161 . . . . 0.0 114.024 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.11 -15.43 62.97 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.507 167.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 43.5 m -69.45 -41.14 76.67 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 116.18 -1.867 . . . . 0.0 114.846 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.74 -39.29 70.17 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.553 -1.689 . . . . 0.0 114.803 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.2 t -75.64 -42.05 52.55 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.01 169.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.96 -8.01 40.55 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 121.279 1.854 . . . . 0.0 113.002 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.57 -23.71 66.92 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 116.366 -1.778 . . . . 0.0 111.873 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -158.88 39.88 0.23 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 119.958 3.318 . . . . 0.0 119.958 -169.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.85 -35.04 64.73 Favored 'General case' 0 CA--C 1.603 3.019 0 CA-C-O 125.349 2.499 . . . . 0.0 105.65 165.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.44 ' H ' ' H ' ' A' ' 145' ' ' SER . 66.1 ttt-85 179.34 -20.19 0.0 OUTLIER 'General case' 0 CA--C 1.583 2.244 1 C-N-CA 135.317 5.447 . . . . 0.0 100.253 168.243 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.44 ' H ' ' H ' ' A' ' 144' ' ' ARG . 8.0 t 47.36 42.44 13.99 Favored 'General case' 0 N--CA 1.528 3.466 0 CA-C-N 125.953 3.979 . . . . 0.0 114.649 -169.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.9 pttt . . . . . 0 CA--C 1.552 1.05 1 CA-C-N 103.849 -6.068 . . . . 0.0 116.086 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.96 -41.34 91.36 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 121.421 1.919 . . . . 0.0 115.964 -175.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -78.46 -38.58 40.79 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 116.691 -1.623 . . . . 0.0 114.332 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.0 -39.14 83.28 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.073 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.28 -41.86 85.28 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-N 120.472 1.487 . . . . 0.0 114.074 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.83 -33.35 75.79 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 117.187 -1.387 . . . . 0.0 113.919 168.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.55 -45.24 87.95 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 116.213 -1.851 . . . . 0.0 115.459 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -65.32 -34.34 78.09 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 121.144 1.793 . . . . 0.0 115.794 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.73 -45.54 71.24 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 126.459 1.904 . . . . 0.0 115.884 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.59 -38.14 77.22 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.68 -44.88 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.05 -31.0 72.04 Favored 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.53 -41.94 83.55 Favored 'General case' 0 CA--C 1.587 2.371 0 C-N-CA 124.485 1.114 . . . . 0.0 113.46 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 36.8 mt -54.19 -61.17 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 C-N-CA 127.51 2.324 . . . . 0.0 110.098 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -51.07 -29.04 11.88 Favored 'General case' 0 N--CA 1.517 2.907 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.55 -51.98 38.16 Favored Glycine 0 CA--C 1.556 2.602 0 CA-C-O 118.153 -1.36 . . . . 0.0 115.11 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.23 -40.22 89.44 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.1 mt -61.94 -45.24 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.769 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.498 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -49.4 -44.78 45.46 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-N 120.233 1.379 . . . . 0.0 114.279 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -64.56 -23.89 67.42 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.88 -64.11 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.287 0 CA-C-O 115.259 -2.305 . . . . 0.0 106.624 169.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -24.33 10.21 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 119.001 2.963 . . . . 0.0 119.001 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.53 -46.08 34.23 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.862 -1.542 . . . . 0.0 112.277 169.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.18 -44.26 76.31 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 116.435 -1.745 . . . . 0.0 114.121 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.38 -47.68 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 CA-C-O 116.51 -1.71 . . . . 0.0 110.73 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.35 -35.38 67.58 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 120.628 1.558 . . . . 0.0 114.086 169.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' HE ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -68.35 -38.15 81.18 Favored 'General case' 0 CA--C 1.577 1.986 0 CA-C-O 117.115 -1.421 . . . . 0.0 113.786 168.614 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 78' ' ' LEU . 43.6 t -49.43 -53.65 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 CA-C-O 116.74 -1.6 . . . . 0.0 109.829 169.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -62.83 -27.63 69.46 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HE ' ' HG2' ' A' ' 53' ' ' GLU . 35.9 ptt180 -75.32 -29.3 59.97 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-N 120.605 1.548 . . . . 0.0 112.931 168.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -79.09 -70.57 0.49 Allowed 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 124.409 1.084 . . . . 0.0 112.211 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -25.83 5.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.225 3.046 . . . . 0.0 119.225 -169.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 m -90.82 -34.05 15.45 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 116.119 -1.896 . . . . 0.0 115.538 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 120.94 1.7 . . . . 0.0 114.993 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.61 -44.6 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 116.104 -1.903 . . . . 0.0 108.816 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.9 tp -54.65 -30.51 55.39 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.058 2.663 . . . . 0.0 113.011 167.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.42 40.41 Favored 'General case' 0 CA--C 1.569 1.706 0 CA-C-O 116.72 -1.609 . . . . 0.0 111.949 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 m -93.3 87.06 0.28 Allowed Pre-proline 0 CA--C 1.581 2.167 0 C-N-CA 127.27 2.228 . . . . 0.0 115.49 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -81.84 6.46 5.65 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 124.206 3.271 . . . . 0.0 112.985 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.04 -55.68 3.0 Favored Pre-proline 0 CA--C 1.593 2.609 0 CA-C-O 112.517 -3.611 . . . . 0.0 110.351 169.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -50.07 -59.45 1.2 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 CA-C-N 128.679 4.136 . . . . 0.0 114.73 169.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.306 21.0 t70 61.85 -121.76 0.74 Allowed 'General case' 0 N--CA 1.516 2.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.442 170.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.15 -25.78 9.79 Favored 'General case' 0 N--CA 1.511 2.601 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -53.56 47.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.558 169.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -96.6 -1.59 46.57 Favored 'General case' 0 CA--C 1.582 2.193 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.31 -38.44 13.37 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.328 1.851 . . . . 0.0 112.357 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.75 -34.23 1.48 Allowed 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.23 -25.83 52.03 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 117.198 -1.382 . . . . 0.0 114.139 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.08 -37.52 74.64 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 121.042 1.747 . . . . 0.0 115.553 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.36 -20.54 65.6 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 168.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.52 -57.44 3.82 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 116.592 -1.671 . . . . 0.0 111.937 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -63.7 -29.65 70.85 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 174.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtt -71.61 -55.47 7.7 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 116.326 -1.797 . . . . 0.0 112.118 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 t -55.86 -25.59 42.99 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 117.574 2.435 . . . . 0.0 117.574 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.54 -46.22 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.76 -43.85 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 CA-C-O 114.999 -2.429 . . . . 0.0 110.045 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -63.66 -37.19 86.42 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 122.818 2.553 . . . . 0.0 114.837 170.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -68.16 -46.44 70.77 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.351 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.8 m -72.4 -61.0 1.95 Allowed 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 114.901 -2.476 . . . . 0.0 109.761 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.57 24.05 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 123.688 2.949 . . . . 0.0 117.631 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -71.31 -44.08 65.83 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 117.506 -1.235 . . . . 0.0 112.291 168.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.17 -38.54 71.04 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 168.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.69 -51.75 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 C-N-CA 126.064 1.746 . . . . 0.0 110.673 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -55.94 -39.95 72.47 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -67.48 -18.33 65.02 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.29 -47.28 11.68 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 115.788 -2.053 . . . . 0.0 111.888 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.307 0.7 OUTLIER -68.61 -28.69 67.14 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 122.047 2.203 . . . . 0.0 115.613 169.705 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.9 -26.37 66.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.541 -2.647 . . . . 0.0 114.728 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.4 m -61.43 -24.31 66.44 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 123.189 2.722 . . . . 0.0 114.876 167.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.43 -49.87 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.133 0 C-N-CA 126.631 1.972 . . . . 0.0 109.254 169.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.63 -36.99 74.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.258 1.844 . . . . 0.0 115.662 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.4 -38.62 77.74 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 64.0 m -65.23 -43.93 89.86 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.288 8.3 mt -75.49 -21.04 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 114.141 -2.838 . . . . 0.0 109.574 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.91 -12.07 61.09 Favored 'General case' 0 CA--C 1.593 2.6 0 O-C-N 126.303 2.252 . . . . 0.0 110.536 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -83.13 -6.33 59.44 Favored 'General case' 0 CA--C 1.578 2.047 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.364 7.2 pt-20 68.5 55.45 0.5 Allowed 'General case' 0 N--CA 1.491 1.575 1 C-N-CA 132.159 4.184 . . . . 0.0 112.017 168.253 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.418 0.8 OUTLIER -93.62 -67.75 0.84 Allowed 'General case' 0 CA--C 1.56 1.337 2 CA-C-N 104.32 -5.855 . . . . 0.0 113.483 -177.797 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.53 -8.64 5.5 Favored Glycine 0 N--CA 1.481 1.646 0 CA-C-O 116.326 -2.374 . . . . 0.0 118.801 169.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.9 mt -31.85 -54.68 0.28 Allowed 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 119.899 1.85 . . . . 0.0 115.348 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 159.37 87.95 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 129.263 3.025 . . . . 0.0 103.225 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -135.82 161.25 36.12 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.8 p -47.4 153.51 0.51 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m 79.58 143.02 0.08 Allowed 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 127.347 2.259 . . . . 0.0 111.376 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.99 -32.43 63.42 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -51.87 -40.08 60.02 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 169.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.82 -22.37 66.01 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 169.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.66 -41.98 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.733 1.613 . . . . 0.0 109.642 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.5 mt -50.07 -41.24 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.509 0 C-N-CA 128.281 2.632 . . . . 0.0 111.584 168.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -59.35 -43.65 92.77 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.198 1.399 . . . . 0.0 114.099 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -63.16 -39.47 94.75 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 168.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.3 m -60.22 -44.77 94.91 Favored 'General case' 0 CA--C 1.577 1.982 0 C-N-CA 124.931 1.292 . . . . 0.0 113.991 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -77.01 -42.91 36.69 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 115.275 -2.298 . . . . 0.0 113.512 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.78 -36.34 82.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 122.782 2.537 . . . . 0.0 115.76 172.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.9 m -69.38 -39.9 77.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.8 m -69.87 -44.55 69.57 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 120.817 1.644 . . . . 0.0 113.129 169.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.97 -44.29 91.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-O 116.75 -1.595 . . . . 0.0 113.914 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.5 m -70.02 -25.68 63.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 169.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -68.68 -41.72 78.84 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.5 1.5 . . . . 0.0 114.671 170.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -73.15 -36.66 66.69 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.53 1.514 . . . . 0.0 113.296 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.1 -36.43 84.01 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.5 p -69.66 -44.61 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.721 1.6 . . . . 0.0 113.897 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.37 -29.09 47.33 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.78 -55.09 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 CA-C-O 115.542 -2.171 . . . . 0.0 108.388 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.5 tpt -62.98 -43.36 99.01 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 122.341 2.337 . . . . 0.0 114.335 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -66.37 -30.59 71.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.23 -39.2 71.83 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.036 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.77 -39.94 93.42 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.04 -40.52 76.94 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 169.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.27 61.27 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 169.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.3 m -65.34 -46.91 78.38 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.597 1.544 . . . . 0.0 113.674 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -73.56 -46.49 47.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.463 -1.732 . . . . 0.0 113.973 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.6 m -64.66 -36.3 83.81 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.23 -32.68 69.06 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.958 -1.496 . . . . 0.0 114.547 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.49 -37.51 82.98 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 119.939 1.245 . . . . 0.0 113.772 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -81.95 -22.97 36.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.414 1.886 . . . . 0.0 115.935 174.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.27 68.06 1.51 Allowed 'General case' 0 N--CA 1.503 2.206 1 CA-C-O 131.899 5.619 . . . . 0.0 112.014 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.757 ' C ' ' H ' ' A' ' 146' ' ' LYS . 30.2 ttm180 -165.34 -84.21 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.521 4 CA-C-N 95.893 -9.685 . . . . 0.0 86.029 167.372 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.6 p 56.81 -26.73 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.477 0 CA-C-N 124.609 3.368 . . . . 0.0 114.062 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.757 ' H ' ' C ' ' A' ' 144' ' ' ARG . 41.5 mtpt . . . . . 0 N--CA 1.485 1.31 2 CA-C-N 107.441 -4.436 . . . . 0.0 108.077 168.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.38 -42.0 93.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 120.873 1.67 . . . . 0.0 115.249 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -81.54 -39.02 25.28 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.587 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mtp -71.26 -43.02 68.03 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 115.878 -2.01 . . . . 0.0 112.755 169.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -56.29 -38.64 71.49 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.737 2.062 . . . . 0.0 115.044 169.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.54 -39.83 92.18 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 116.939 -1.505 . . . . 0.0 113.183 169.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.18 -42.87 87.0 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.79 -45.79 70.37 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.33 -38.45 86.95 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 116.817 2.155 . . . . 0.0 116.817 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -70.73 -35.86 72.91 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.19 -48.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 CA-C-O 116.641 -1.647 . . . . 0.0 113.816 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -60.18 -26.7 66.54 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -43.44 64.75 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.474 169.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.271 18.8 mt -60.74 -54.36 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.861 0 C-N-CA 126.041 1.737 . . . . 0.0 110.546 171.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -53.24 -31.41 43.2 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 169.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -50.07 66.21 Favored Glycine 0 CA--C 1.553 2.407 0 CA-C-O 118.17 -1.35 . . . . 0.0 115.332 168.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.34 -43.23 99.22 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-O 116.779 -1.581 . . . . 0.0 113.358 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.67 -46.78 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 C-N-CA 125.794 1.637 . . . . 0.0 111.032 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -50.5 -46.43 57.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -70.16 -21.49 63.06 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 116.478 -1.725 . . . . 0.0 115.235 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.41 -56.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.942 0 CA-C-O 115.096 -2.383 . . . . 0.0 107.915 169.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.47 -35.05 78.1 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 122.568 2.44 . . . . 0.0 116.782 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -68.01 -43.13 79.53 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.74 -1.6 . . . . 0.0 112.489 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.72 -45.16 65.43 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.021 -1.942 . . . . 0.0 113.232 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.265 0.3 OUTLIER -61.41 -47.94 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-N 120.56 1.527 . . . . 0.0 114.495 177.812 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -57.44 -32.91 67.37 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 124.814 1.246 . . . . 0.0 113.085 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 12.5 tt0 -66.83 -47.43 72.0 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 168.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.9 t -44.77 -48.34 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.855 0 C-N-CA 125.445 1.498 . . . . 0.0 111.953 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.85 -26.19 68.22 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.301 -2.285 . . . . 0.0 116.075 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 36.3 ptt180 -80.35 -30.29 37.98 Favored 'General case' 0 N--CA 1.509 2.479 0 CA-C-N 121.944 2.156 . . . . 0.0 113.487 169.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -77.7 -43.36 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.881 2.128 . . . . 0.0 114.287 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -51.01 -30.76 16.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 119.261 3.06 . . . . 0.0 119.261 174.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -82.0 -45.2 15.65 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 116.034 -1.936 . . . . 0.0 114.37 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.59 66.62 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 118.787 2.884 . . . . 0.0 118.787 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 75' ' ' LEU 0.269 39.9 mt -99.5 -39.26 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.36 -30.88 69.83 Favored 'General case' 0 CA--C 1.595 2.682 0 CA-C-N 122.578 2.444 . . . . 0.0 110.345 165.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.26 -40.2 62.5 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 114.723 -2.56 . . . . 0.0 112.776 167.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 p -93.09 91.18 0.49 Allowed Pre-proline 0 CA--C 1.586 2.337 0 CA-C-N 123.334 2.788 . . . . 0.0 110.74 167.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -76.28 -6.97 17.7 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 124.481 3.454 . . . . 0.0 112.0 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -119.93 80.9 26.29 Favored Pre-proline 0 CA--C 1.596 2.742 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 168.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -75.68 166.76 27.75 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 123.921 3.08 . . . . 0.0 116.031 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -111.14 128.47 55.9 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 41.85 70.38 0.28 Allowed 'General case' 0 N--CA 1.534 3.751 0 CA-C-O 124.904 2.288 . . . . 0.0 109.479 -167.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.746 ' C ' ' H ' ' A' ' 72' ' ' LYS . 38.0 mmtm -27.97 88.25 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.725 2 CA-C-N 104.07 -5.968 . . . . 0.0 108.155 -166.343 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -38.82 2.36 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.811 3 CA-C-N 101.276 -7.238 . . . . 0.0 118.521 -167.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.746 ' H ' ' C ' ' A' ' 70' ' ' LYS . 90.6 mttt -91.04 -15.97 28.69 Favored 'General case' 0 C--N 1.303 -1.454 1 CA-C-N 106.054 -5.066 . . . . 0.0 111.627 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -37.63 -43.92 0.66 Allowed 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -90.03 -25.97 20.54 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.558 -2.163 . . . . 0.0 114.41 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 HD13 ' A' ' 61' ' ' ILE . 96.2 mt -64.16 -35.41 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 122.429 2.377 . . . . 0.0 116.088 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.18 -22.45 66.95 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 168.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.33 -56.95 4.11 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-O 115.15 -2.357 . . . . 0.0 111.799 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -31.59 72.55 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.7 mtt -72.93 -47.09 48.63 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 116.856 -1.545 . . . . 0.0 112.156 170.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -65.79 -16.8 64.13 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.24 -45.85 21.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 115.899 -2.0 . . . . 0.0 113.279 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.12 -44.94 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 121.996 2.18 . . . . 0.0 109.91 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -47.97 -52.83 18.15 Favored 'General case' 0 CA--C 1.59 2.494 0 CA-C-N 123.093 2.679 . . . . 0.0 114.024 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.87 -47.16 66.61 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 117.139 -1.41 . . . . 0.0 114.731 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -56.05 8.39 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 115.548 -2.167 . . . . 0.0 111.384 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.75 -39.4 24.8 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 121.243 1.838 . . . . 0.0 115.741 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.91 -38.38 69.93 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.387 -1.768 . . . . 0.0 115.476 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -62.96 -41.5 99.55 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.874 1.67 . . . . 0.0 114.521 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.96 -52.48 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.225 0 CA-C-O 116.206 -1.854 . . . . 0.0 113.13 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.44 -44.62 92.88 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 121.378 1.899 . . . . 0.0 114.027 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.4 m -60.13 -24.17 64.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 168.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.63 -47.86 14.72 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.245 -1.836 . . . . 0.0 113.966 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.3 -20.51 63.01 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 121.229 1.831 . . . . 0.0 114.353 169.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.276 17.2 tptm -60.2 -51.3 70.17 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-O 116.147 -1.882 . . . . 0.0 111.547 168.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -51.47 -23.28 3.8 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.43 -53.52 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 115.871 -2.014 . . . . 0.0 109.347 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.33 -33.87 75.53 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 121.539 1.972 . . . . 0.0 115.446 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -64.84 -43.62 92.43 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m -75.25 -24.16 57.59 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 117.58 2.437 . . . . 0.0 117.58 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 mt -79.96 -59.82 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.398 0 CA-C-N 120.629 1.559 . . . . 0.0 106.966 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -43.49 -26.4 0.21 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 172.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.7 -35.72 15.61 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 116.982 -1.485 . . . . 0.0 114.787 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 3.45 14.38 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -63.23 1.3 Allowed 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.214 1.405 . . . . 0.0 113.012 -171.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.32 15.36 63.0 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.136 -1.369 . . . . 0.0 115.286 169.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.285 1.5 tt -79.66 -65.91 0.94 Allowed 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 115.622 -2.133 . . . . 0.0 108.6 171.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -177.17 85.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 121.696 2.044 . . . . 0.0 108.595 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -154.28 127.58 8.47 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 172.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.6 p -140.42 86.01 2.04 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 m -152.22 153.97 34.85 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 124.414 1.086 . . . . 0.0 111.543 -169.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.74 90.56 3.68 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 125.151 2.405 . . . . 0.0 106.612 168.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -171.59 -51.89 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.499 0 C-N-CA 129.811 3.245 . . . . 0.0 103.903 -169.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -27.08 67.49 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.358 2.263 . . . . 0.0 112.539 166.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -90.05 -44.69 9.66 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 128.257 2.623 . . . . 0.0 108.417 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.26 -50.2 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.674 0 C-N-CA 127.95 2.5 . . . . 0.0 110.554 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -64.26 -39.46 93.99 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.707 1.603 . . . . 0.0 113.371 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -66.85 -33.1 74.85 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.615 167.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.5 m -58.22 -42.43 86.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -71.57 -44.82 63.81 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.649 -2.12 . . . . 0.0 113.819 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -61.07 -34.45 74.93 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 122.028 2.194 . . . . 0.0 115.924 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.9 m -69.18 -40.22 78.25 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m -69.33 -43.57 73.42 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-N 120.728 1.604 . . . . 0.0 113.088 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.78 -47.52 82.31 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 125.743 1.617 . . . . 0.0 112.761 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.8 t -63.82 -39.86 95.24 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 116.4 -1.762 . . . . 0.0 115.294 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.88 -44.15 77.85 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 120.845 1.657 . . . . 0.0 115.314 173.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -72.57 -27.53 62.25 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.402 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 169.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.2 t -77.73 -44.6 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.754 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.95 -9.68 1.45 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 169.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.7 -66.97 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 CA-C-O 116.108 -1.901 . . . . 0.0 108.107 172.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.2 mmm -63.44 -46.21 87.32 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.895 2.134 . . . . 0.0 113.37 -169.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -21.59 66.75 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 168.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.32 -45.26 40.76 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.396 168.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.99 -35.59 75.34 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 168.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -48.96 -40.56 30.89 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.946 1.298 . . . . 0.0 114.274 168.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.19 52.29 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.427 168.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.9 m -65.67 -48.99 70.25 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.046 1.748 . . . . 0.0 113.584 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -70.31 -46.52 64.1 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.144 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m -71.75 -29.59 64.67 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.84 -17.53 58.93 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 121.241 1.837 . . . . 0.0 113.145 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -68.99 -63.44 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.54 1.518 . . . . 0.0 112.338 169.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -9.87 58.89 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -135.77 74.27 1.5 Allowed 'General case' 0 N--CA 1.502 2.137 1 CA-C-O 131.662 5.506 . . . . 0.0 113.692 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.615 ' C ' ' H ' ' A' ' 146' ' ' LYS . 27.2 ttm180 -174.22 -84.07 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.283 4 CA-C-N 96.285 -9.507 . . . . 0.0 85.419 167.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p 64.56 -41.16 0.27 Allowed 'General case' 0 C--N 1.411 3.27 0 C-N-CA 128.007 2.523 . . . . 0.0 108.558 -166.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.615 ' H ' ' C ' ' A' ' 144' ' ' ARG . 43.4 mtmt . . . . . 0 N--CA 1.48 1.062 1 CA-C-N 108.373 -4.012 . . . . 0.0 107.813 167.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.566 1.583 0 CA-C-O 116.751 -1.595 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -69.45 -32.63 71.68 Favored 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -62.63 -44.26 96.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mmm -67.03 -37.83 84.82 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.771 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -55.1 -40.64 70.66 Favored 'General case' 0 N--CA 1.505 2.302 0 CA-C-O 117.312 -1.327 . . . . 0.0 114.467 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.71 -37.38 84.58 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.25 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.78 -41.11 97.31 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 116.265 -1.826 . . . . 0.0 115.588 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -68.15 -33.74 75.04 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.31 0.0 OUTLIER -72.7 -45.2 60.01 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 177.363 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.53 -39.63 85.05 Favored 'General case' 0 N--CA 1.503 2.225 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -44.92 -45.3 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.906 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.55 -41.44 97.37 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 116.422 -1.752 . . . . 0.0 114.651 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.0 -26.65 65.12 Favored 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 168.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 21.5 mt -66.7 -54.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.849 0 C-N-CA 125.311 1.444 . . . . 0.0 109.46 169.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -50.04 -34.36 21.15 Favored 'General case' 0 N--CA 1.511 2.604 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.52 58.14 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 124.928 1.252 . . . . 0.0 115.118 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.23 -33.92 76.53 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 116.374 -1.774 . . . . 0.0 114.802 168.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.73 -54.54 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 CA-C-O 116.707 -1.616 . . . . 0.0 109.558 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.81 -45.12 39.89 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.72 -17.51 35.33 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 169.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.9 mm -80.06 -66.14 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 CA-C-O 115.353 -2.26 . . . . 0.0 105.491 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.87 5.02 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.2 -43.34 34.06 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.264 -1.35 . . . . 0.0 113.231 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.88 -40.0 95.51 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.258 -1.83 . . . . 0.0 114.855 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -48.58 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 CA-C-O 116.324 -1.798 . . . . 0.0 110.243 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.75 -33.13 33.58 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 120.942 1.701 . . . . 0.0 115.297 169.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.23 -38.68 71.96 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 117.261 -1.352 . . . . 0.0 113.527 168.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.9 -41.79 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 CA-C-O 116.395 -1.764 . . . . 0.0 112.474 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -33.15 74.48 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 115.343 -2.265 . . . . 0.0 115.658 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -70.01 -28.43 65.49 Favored 'General case' 0 N--CA 1.516 2.856 0 CA-C-N 122.153 2.252 . . . . 0.0 113.795 168.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -74.1 -70.37 0.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.241 1.417 . . . . 0.0 111.617 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -49.43 -23.25 1.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 119.257 3.058 . . . . 0.0 119.257 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -90.82 -38.26 13.09 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.708 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.82 -26.33 44.21 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.253 1.842 . . . . 0.0 114.942 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.39 -42.87 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.613 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.829 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -48.6 -36.11 14.98 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-N 123.29 2.768 . . . . 0.0 113.396 167.066 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.1 45.41 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 116.43 -1.747 . . . . 0.0 112.639 167.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -93.51 85.74 0.24 Allowed Pre-proline 0 CA--C 1.58 2.129 0 C-N-CA 127.048 2.139 . . . . 0.0 116.312 173.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -81.29 -0.13 10.31 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 124.09 3.193 . . . . 0.0 112.567 168.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -68.39 -52.74 19.83 Favored Pre-proline 0 CA--C 1.589 2.48 0 CA-C-O 112.572 -3.585 . . . . 0.0 111.62 169.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -51.91 -69.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.4 3.281 1 CA-C-N 128.495 4.07 . . . . 0.0 112.507 169.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 31.95 110.14 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.749 0 C-N-CA 126.82 2.048 . . . . 0.0 115.131 169.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 72.11 -10.23 0.91 Allowed 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.727 2.411 . . . . 0.0 113.663 -168.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -90.02 -59.26 2.24 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.399 1.879 . . . . 0.0 107.714 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -28.77 43.37 Favored 'General case' 0 CA--C 1.576 1.961 0 CA-C-O 116.961 -1.495 . . . . 0.0 113.714 170.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.88 -35.5 69.78 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.011 -1.947 . . . . 0.0 114.911 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.86 -33.28 35.65 Favored 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 122.5 2.409 . . . . 0.0 115.288 169.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -73.43 -23.15 60.09 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 115.98 -1.962 . . . . 0.0 114.223 168.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.5 mt -56.5 -33.26 65.83 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.11 2.232 . . . . 0.0 115.579 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.62 -28.86 69.9 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.58 -53.2 9.85 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 115.946 -1.978 . . . . 0.0 112.525 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.11 -28.53 69.5 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.1 mtt -72.01 -45.19 61.85 Favored 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 116.945 -1.502 . . . . 0.0 112.554 169.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.97 -26.41 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.63 -43.41 72.74 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 116.448 -1.739 . . . . 0.0 115.086 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.57 -39.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 CA-C-O 115.882 -2.009 . . . . 0.0 110.269 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -59.45 -43.85 93.07 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-N 121.65 2.023 . . . . 0.0 114.504 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.38 -47.4 67.47 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.446 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.7 m -69.06 -50.05 51.94 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.785 175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.04 -41.8 68.47 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 115.313 -2.279 . . . . 0.0 115.245 172.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -69.01 -36.37 77.7 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 121.164 1.802 . . . . 0.0 115.755 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -35.16 75.24 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.12 -52.95 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 125.882 1.673 . . . . 0.0 114.078 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -59.15 -43.11 92.03 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.975 1.31 . . . . 0.0 114.077 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.0 m -66.62 -22.89 66.11 Favored 'General case' 0 CA--C 1.563 1.469 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -88.05 -32.59 18.69 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.471 1.487 . . . . 0.0 113.065 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.305 0.9 OUTLIER -68.81 -44.1 74.23 Favored 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 125.493 1.517 . . . . 0.0 112.922 169.777 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -33.86 60.45 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 116.504 -1.712 . . . . 0.0 114.671 169.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.5 t -56.19 -26.32 50.37 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 168.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.33 -49.93 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.257 0 CA-C-O 116.328 -1.796 . . . . 0.0 107.462 168.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.96 -42.34 68.82 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 169.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -58.41 -40.25 81.96 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.5 m -65.76 -28.75 69.26 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 118.013 2.598 . . . . 0.0 118.013 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HB3' ' A' ' 117' ' ' LYS . 42.6 mt -80.01 -60.09 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.07 -24.91 1.78 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -80.21 -39.28 29.45 Favored 'General case' 0 CA--C 1.571 1.756 0 CA-C-N 120.724 1.602 . . . . 0.0 113.625 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.65 -6.45 59.38 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.313 23.1 tt0 -76.53 -62.47 1.61 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 127.971 2.508 . . . . 0.0 113.002 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.57 -13.89 33.02 Favored Glycine 0 CA--C 1.563 3.079 0 N-CA-C 118.25 2.06 . . . . 0.0 118.25 169.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.5 tp -47.87 -28.15 2.48 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 71.56 78.93 0.16 Allowed 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 128.025 2.53 . . . . 0.0 108.159 -168.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 156.6 35.28 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 124.173 0.989 . . . . 0.0 111.411 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.8 m -137.46 94.77 2.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.4 t -144.92 149.72 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.202 1.001 . . . . 0.0 111.533 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.67 -31.85 8.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.917 -1.516 . . . . 0.0 115.03 169.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.39 -38.43 63.37 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 169.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.61 -30.97 63.84 Favored 'General case' 0 N--CA 1.507 2.416 0 C-N-CA 125.942 1.697 . . . . 0.0 114.885 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.2 -36.04 15.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.094 1.758 . . . . 0.0 109.715 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.13 -43.87 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.515 0 C-N-CA 127.403 2.281 . . . . 0.0 110.514 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -58.07 -41.28 83.03 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.769 1.228 . . . . 0.0 114.092 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.431 ' HB3' HD13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -74.45 -33.34 62.9 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 171.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.5 m -49.5 -41.01 39.67 Favored 'General case' 0 CA--C 1.586 2.33 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -79.46 -41.61 27.16 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.159 -1.877 . . . . 0.0 114.029 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -56.31 -47.14 79.29 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 121.816 2.098 . . . . 0.0 115.574 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.5 m -68.98 -30.17 68.53 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.3 m -73.68 -50.27 21.73 Favored 'General case' 0 CA--C 1.583 2.236 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.428 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.7 -40.53 95.53 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.972 -1.966 . . . . 0.0 115.311 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -66.57 -43.03 86.11 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 116.338 -1.792 . . . . 0.0 115.115 171.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -53.11 -43.68 67.04 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.826 1.648 . . . . 0.0 114.129 169.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -70.31 -29.38 66.09 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.635 -1.174 . . . . 0.0 113.925 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.54 -37.18 85.98 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.34 -45.09 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 125.509 1.523 . . . . 0.0 109.949 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -55.2 -11.0 0.63 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -106.91 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 CA-C-O 115.994 -1.955 . . . . 0.0 106.764 170.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 32.3 mmt -55.0 -38.06 67.39 Favored 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 122.162 2.255 . . . . 0.0 115.793 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -68.27 -32.16 72.12 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 169.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.63 -47.79 62.21 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 125.168 1.387 . . . . 0.0 112.527 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -55.38 -29.3 58.19 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.67 -47.94 68.06 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 117.234 -1.365 . . . . 0.0 114.107 169.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.78 -14.67 63.18 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 168.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.6 m -71.43 -49.58 40.26 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.669 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.25 -42.88 65.12 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 116.555 -1.688 . . . . 0.0 114.286 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.7 m -65.07 -39.8 93.76 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.2 -25.16 66.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 120.612 1.551 . . . . 0.0 115.018 169.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -71.5 -48.46 48.84 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 117.079 -1.439 . . . . 0.0 113.72 169.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -66.62 -32.99 74.67 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 127.353 2.261 . . . . 0.0 116.508 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . 0.25 40.9 mt-10 -93.98 -48.63 6.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 112.24 -3.743 . . . . 0.0 103.928 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.461 ' O ' HD21 ' A' ' 62' ' ' LEU 0.302 47.3 ttt180 -102.27 78.13 1.72 Allowed 'General case' 0 CA--C 1.591 2.552 1 CA-C-O 128.72 4.105 . . . . 0.0 107.007 162.063 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -107.6 -37.83 6.06 Favored 'General case' 0 CA--C 1.563 1.473 2 N-CA-C 89.329 -8.026 . . . . 0.0 89.329 162.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.6 mttp . . . . . 0 C--N 1.387 2.202 0 CA-C-O 123.475 1.607 . . . . 0.0 107.735 164.513 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 116.447 -1.74 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -64.49 -43.44 94.13 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 115.937 1.828 . . . . 0.0 115.937 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.39 -43.46 50.02 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.6 mmm -72.04 -38.76 69.47 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 116.577 -1.678 . . . . 0.0 112.605 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.58 -39.03 75.83 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 115.843 -2.027 . . . . 0.0 115.121 169.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.9 -40.79 83.42 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 121.599 2.0 . . . . 0.0 114.353 168.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.29 -47.9 80.29 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 170.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -70.95 -43.17 68.71 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 116.369 -1.777 . . . . 0.0 114.809 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.92 -41.1 78.63 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -45.41 -41.52 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 171.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.65 -37.82 87.89 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.56 -27.0 60.32 Favored 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 168.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.29 25.5 mt -63.14 -59.01 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 C-N-CA 126.725 2.01 . . . . 0.0 109.215 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -46.53 -31.33 2.7 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 122.041 2.2 . . . . 0.0 116.818 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.66 33.46 Favored Glycine 0 CA--C 1.552 2.386 0 CA-C-O 117.905 -1.497 . . . . 0.0 115.361 168.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -60.99 -33.57 73.44 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.422 -1.752 . . . . 0.0 115.293 169.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.9 -52.74 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.677 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.852 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -47.59 -41.25 21.24 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 169.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -64.57 -23.64 67.33 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -68.74 -53.51 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.952 0 CA-C-O 115.355 -2.259 . . . . 0.0 109.006 169.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.49 -36.52 82.78 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.013 2.188 . . . . 0.0 116.144 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.77 -44.49 81.23 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 116.706 -1.616 . . . . 0.0 113.056 169.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.88 -42.28 77.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 116.422 -1.751 . . . . 0.0 114.242 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.253 0.9 OUTLIER -63.84 -48.68 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 CA-C-N 120.245 1.384 . . . . 0.0 113.967 179.019 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.14 -33.73 69.49 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.487 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.87 -45.55 85.57 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -50.85 -44.96 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.953 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.261 168.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -60.15 -32.91 71.48 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.66 -35.54 62.82 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 120.074 1.306 . . . . 0.0 113.29 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.82 -40.21 33.5 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -35.53 81.0 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 -174.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -76.27 -48.43 20.22 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 116.449 -1.738 . . . . 0.0 115.17 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 169.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.9 mt -81.24 -31.74 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.159 0 CA-C-O 116.066 -1.921 . . . . 0.0 108.832 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 tp -66.33 -21.61 66.26 Favored 'General case' 0 CA--C 1.589 2.444 0 CA-C-N 123.033 2.652 . . . . 0.0 111.516 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.94 2.13 Favored 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 115.129 -2.367 . . . . 0.0 109.5 168.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 m -92.79 93.87 0.79 Allowed Pre-proline 0 CA--C 1.571 1.764 0 CA-C-N 122.885 2.584 . . . . 0.0 107.77 167.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -77.49 -7.91 17.0 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.817 3.012 . . . . 0.0 111.496 167.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -116.17 81.87 10.85 Favored Pre-proline 0 CA--C 1.595 2.674 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -105.62 -146.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.588 3.219 0 C-N-CA 123.989 3.126 . . . . 0.0 112.189 -171.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -79.36 151.14 31.16 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 124.836 1.254 . . . . 0.0 110.018 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -53.55 -27.63 27.19 Favored 'General case' 0 N--CA 1.513 2.684 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -58.64 -37.87 76.89 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -75.13 -50.69 15.52 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.97 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -84.01 -38.73 20.55 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.703 1.592 . . . . 0.0 114.541 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -55.45 -31.37 61.89 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 169.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.85 -28.92 62.81 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 115.383 -2.246 . . . . 0.0 115.226 169.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.18 -39.87 95.89 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 122.784 2.538 . . . . 0.0 115.343 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.86 -25.99 67.87 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 116.905 -1.522 . . . . 0.0 113.954 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -70.94 -51.52 25.36 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-O 115.035 -2.412 . . . . 0.0 112.633 170.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.75 -36.98 85.1 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.443 2.383 . . . . 0.0 117.306 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.2 mtt -72.13 -43.53 64.55 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 116.956 -1.497 . . . . 0.0 113.306 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -66.12 -20.43 66.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.32 -49.52 22.59 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 117.24 -1.362 . . . . 0.0 114.019 169.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.74 -39.78 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.369 0 CA-C-O 116.444 -1.741 . . . . 0.0 110.085 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -57.64 -52.64 64.59 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 121.041 1.746 . . . . 0.0 113.795 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -69.9 -43.16 72.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 116.63 -1.652 . . . . 0.0 114.624 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.5 m -70.54 -60.39 2.29 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 114.232 -2.794 . . . . 0.0 110.311 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -36.5 45.59 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 123.082 2.674 . . . . 0.0 115.666 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -69.0 -39.71 79.18 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 116.28 -1.819 . . . . 0.0 115.375 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.24 -39.49 69.8 Favored 'General case' 0 CA--C 1.588 2.437 0 CA-C-N 121.446 1.93 . . . . 0.0 114.865 169.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . 0.255 11.7 p -90.41 -53.18 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.323 0 C-N-CA 126.78 2.032 . . . . 0.0 113.509 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.25 16.0 ptt180 -58.28 -46.51 85.92 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 120.621 1.555 . . . . 0.0 112.571 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 t -60.21 -18.99 52.23 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 167.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -73.05 -35.29 66.68 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 124.053 0.941 . . . . 0.0 110.612 168.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.62 -38.11 83.66 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.692 167.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -55.73 -29.26 59.22 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 115.634 -2.127 . . . . 0.0 116.309 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -69.3 -23.58 63.83 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 120.809 1.64 . . . . 0.0 114.662 167.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.7 mm -81.05 -49.7 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 C-N-CA 126.714 2.006 . . . . 0.0 109.695 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.92 -38.59 73.06 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.72 -38.19 72.0 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 t -72.16 -32.13 66.57 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.508 ' HA ' ' HG2' ' A' ' 104' ' ' GLU 0.252 4.0 mt -90.37 -24.66 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 114.345 -2.741 . . . . 0.0 109.867 178.482 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.86 -9.11 57.86 Favored 'General case' 0 CA--C 1.591 2.533 0 O-C-N 126.729 2.518 . . . . 0.0 110.849 165.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -70.9 -29.84 66.02 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 163.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 106' ' ' LEU 0.459 6.4 tp10 68.34 82.62 0.17 Allowed 'General case' 0 N--CA 1.489 1.498 2 C-N-CA 132.519 4.328 . . . . 0.0 102.99 168.883 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 100' ' ' ILE 0.4 7.4 pt-20 -91.12 -39.44 12.15 Favored 'General case' 0 CA--C 1.552 1.024 1 CA-C-N 96.122 -9.581 . . . . 0.0 107.084 -169.752 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -72.67 4.98 18.8 Favored Glycine 1 CA--C 1.588 4.602 0 CA-C-N 111.613 -2.54 . . . . 0.0 112.216 164.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 2.8 tp -33.81 -33.92 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.615 0 C-N-CA 129.12 2.968 . . . . 0.0 117.675 167.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 109.33 85.4 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 131.431 3.892 . . . . 0.0 103.97 -169.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -134.29 -2.36 2.81 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -171.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.9 m 56.73 81.73 0.13 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 129.736 3.214 . . . . 0.0 113.59 174.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -155.87 153.99 30.57 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.797 1.239 . . . . 0.0 111.141 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.28 -163.84 1.06 Allowed 'General case' 0 CA--C 1.585 2.298 0 N-CA-C 100.93 -3.73 . . . . 0.0 100.93 166.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.76 -37.51 0.3 Allowed 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 128.883 2.873 . . . . 0.0 114.732 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.82 -34.89 78.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 129.048 2.939 . . . . 0.0 113.341 168.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -87.68 -32.23 19.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.208 1.803 . . . . 0.0 110.051 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.254 22.3 mt -57.8 -48.89 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 C-N-CA 127.951 2.5 . . . . 0.0 109.845 167.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.72 -44.8 86.2 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 125.606 1.562 . . . . 0.0 113.971 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.12 -34.35 76.18 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 125.594 1.558 . . . . 0.0 115.061 168.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -62.09 -47.05 86.37 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 124.861 1.264 . . . . 0.0 113.842 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -83.32 -36.41 24.46 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 115.401 -2.237 . . . . 0.0 115.68 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.09 -37.09 76.31 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 122.737 2.517 . . . . 0.0 116.26 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.1 m -70.75 -40.12 72.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 116.025 -1.941 . . . . 0.0 115.919 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.7 m -69.0 -43.06 75.62 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 121.253 1.842 . . . . 0.0 113.027 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.19 -52.39 65.77 Favored 'General case' 0 CA--C 1.581 2.151 0 C-N-CA 125.611 1.564 . . . . 0.0 112.704 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -61.05 -40.54 94.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.254 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -53.51 -43.33 68.2 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 125.646 1.578 . . . . 0.0 113.965 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -60.34 -34.61 74.08 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.554 169.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -69.25 -37.43 77.93 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 116.095 -1.907 . . . . 0.0 115.828 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.69 -37.12 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 121.684 2.038 . . . . 0.0 111.496 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.39 -5.9 2.85 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.4 t -131.77 -43.9 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 114.921 -2.466 . . . . 0.0 111.239 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -46.34 75.41 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 123.627 2.922 . . . . 0.0 114.048 173.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 t -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.512 2.042 . . . . 0.0 116.512 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.98 -47.3 25.53 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.793 1.637 . . . . 0.0 111.963 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -57.08 -30.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -51.52 -38.18 52.88 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 117.51 -1.233 . . . . 0.0 114.147 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.42 76.71 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 91.3 m -73.82 -56.77 4.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.363 1.438 . . . . 0.0 112.018 174.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -59.9 -35.46 74.91 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.2 t -74.89 -47.3 30.73 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 114.739 -2.553 . . . . 0.0 112.392 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.61 -17.23 7.94 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 122.557 2.435 . . . . 0.0 117.106 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.66 -37.55 73.71 Favored 'General case' 0 CA--C 1.579 2.073 0 CA-C-N 121.528 1.967 . . . . 0.0 114.412 168.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.93 7.97 6.17 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.333 3.086 . . . . 0.0 119.333 -167.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.59 -57.35 2.9 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 125.523 1.529 . . . . 0.0 108.44 172.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . 0.253 25.1 ttp180 -70.89 -53.19 16.01 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 129.122 2.969 . . . . 0.0 109.147 168.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.4 p 43.23 43.26 3.93 Favored 'General case' 0 N--CA 1.52 3.036 0 CA-C-O 128.169 3.843 . . . . 0.0 113.509 -167.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.498 1 CA-C-N 104.978 -5.555 . . . . 0.0 113.181 -168.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 116.533 -1.698 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -67.3 -44.79 78.37 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.221 1.828 . . . . 0.0 115.218 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.81 -39.75 26.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 116.615 -1.66 . . . . 0.0 114.37 -175.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.2 mtp -67.89 -38.93 83.61 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-O 116.269 -1.824 . . . . 0.0 113.441 169.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.78 -44.46 86.24 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 121.171 1.805 . . . . 0.0 114.332 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.03 -35.24 78.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 120.284 1.402 . . . . 0.0 113.868 169.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.88 -39.76 94.94 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 116.303 -1.808 . . . . 0.0 115.511 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -64.94 -42.7 94.43 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.958 1.708 . . . . 0.0 115.596 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.5 -42.86 82.18 Favored 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 126.499 1.92 . . . . 0.0 116.113 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.8 -34.71 72.03 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.18 -45.61 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.837 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.569 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.45 -24.89 58.36 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.06 -43.94 50.47 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 124.415 1.086 . . . . 0.0 111.515 169.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.262 22.6 mt -57.5 -59.27 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 125.713 1.605 . . . . 0.0 109.769 172.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -44.49 -34.41 2.07 Favored 'General case' 0 N--CA 1.51 2.531 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.78 -50.4 68.11 Favored Glycine 0 CA--C 1.555 2.59 0 CA-C-O 118.509 -1.162 . . . . 0.0 114.203 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.97 -33.96 77.28 Favored 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 116.789 -1.577 . . . . 0.0 114.971 168.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.81 -54.66 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.045 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -37.47 71.88 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 172.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -64.62 -34.91 79.37 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.982 -1.961 . . . . 0.0 115.648 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.31 -60.92 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.127 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.35 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.0 63.89 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 123.224 2.738 . . . . 0.0 118.13 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.77 -47.58 25.3 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.909 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -67.3 -42.8 83.13 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 116.903 -1.523 . . . . 0.0 114.054 174.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.39 -47.25 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 115.872 -2.013 . . . . 0.0 110.322 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.12 -34.89 68.82 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-N 121.473 1.942 . . . . 0.0 114.826 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -69.67 -31.89 70.21 Favored 'General case' 0 CA--C 1.584 2.261 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.158 168.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.69 -53.44 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.114 0 CA-C-O 116.022 -1.942 . . . . 0.0 110.091 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -62.0 -23.02 66.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -77.12 -37.24 54.51 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 120.446 1.475 . . . . 0.0 112.312 168.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -68.13 -56.14 9.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -49.68 -21.92 1.19 Allowed 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 119.011 2.967 . . . . 0.0 119.011 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.2 m -88.01 -48.91 7.4 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 116.484 -1.722 . . . . 0.0 113.614 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.21 65.04 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.256 35.8 mt -86.1 -32.69 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 CA-C-O 116.679 -1.629 . . . . 0.0 107.892 175.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.06 -29.5 68.59 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 122.179 2.263 . . . . 0.0 110.331 165.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -51.2 13.15 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-O 114.988 -2.434 . . . . 0.0 112.228 168.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.3 m -93.25 91.46 0.54 Allowed Pre-proline 0 CA--C 1.575 1.928 0 CA-C-N 122.958 2.617 . . . . 0.0 109.97 167.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -73.46 -12.15 24.82 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 124.315 3.343 . . . . 0.0 112.931 168.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -120.26 80.04 28.06 Favored Pre-proline 0 CA--C 1.588 2.414 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 169.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -95.05 -163.71 0.09 OUTLIER 'Trans proline' 0 CA--C 1.581 2.848 0 C-N-CA 123.692 2.928 . . . . 0.0 113.513 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.26 159.08 27.42 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.608 1.163 . . . . 0.0 111.534 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.57 -24.75 8.82 Favored 'General case' 0 N--CA 1.513 2.719 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 171.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -56.05 -35.29 66.74 Favored 'General case' 0 CA--C 1.579 2.065 0 N-CA-C 115.456 1.651 . . . . 0.0 115.456 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.6 p -75.93 -62.9 1.44 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.731 -1.604 . . . . 0.0 111.624 -171.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.29 -37.69 52.25 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 116.616 -1.659 . . . . 0.0 114.049 -169.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.6 -37.13 26.5 Favored 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 121.078 1.763 . . . . 0.0 115.437 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.42 -29.4 59.72 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.814 -2.041 . . . . 0.0 114.919 169.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.61 -41.22 98.33 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-N 121.731 2.06 . . . . 0.0 115.007 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.41 -22.36 63.69 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.589 -1.672 . . . . 0.0 113.655 168.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.29 -57.63 3.77 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.435 -2.222 . . . . 0.0 111.828 170.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.42 -30.0 70.91 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtt -73.81 -55.56 6.07 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 116.578 -1.677 . . . . 0.0 110.674 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -54.15 -30.06 47.78 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 169.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.16 -39.83 78.54 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.625 -1.655 . . . . 0.0 114.739 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.13 -41.51 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 CA-C-O 113.885 -2.959 . . . . 0.0 109.934 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -45.08 92.35 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 125.073 3.578 . . . . 0.0 114.04 169.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -71.41 -43.95 65.82 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 116.725 -1.607 . . . . 0.0 114.669 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.6 m -71.17 -54.74 9.97 Favored 'General case' 0 CA--C 1.576 1.95 0 CA-C-O 114.824 -2.512 . . . . 0.0 111.12 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.24 -40.49 34.16 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-N 122.324 2.329 . . . . 0.0 115.455 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -71.28 -42.85 68.21 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.138 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -55.09 -35.21 64.36 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 169.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.13 -53.01 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 C-N-CA 126.004 1.722 . . . . 0.0 112.993 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -59.9 -45.08 93.66 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-N 120.596 1.544 . . . . 0.0 113.909 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -65.41 -24.22 67.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -81.99 -39.13 24.05 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.54 1.518 . . . . 0.0 112.622 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.352 0.8 OUTLIER -62.91 -48.89 76.98 Favored 'General case' 0 CA--C 1.589 2.456 0 C-N-CA 125.442 1.497 . . . . 0.0 111.719 169.327 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.264 20.8 tptm -54.41 -35.53 63.0 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.387 -1.446 . . . . 0.0 113.004 167.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -63.39 -20.45 65.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.83 -60.61 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 115.778 -2.058 . . . . 0.0 107.491 168.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.76 0.5 23.42 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -82.81 -25.23 32.9 Favored 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 164.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.7 m -122.05 32.64 5.75 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 120.784 3.624 . . . . 0.0 120.784 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.361 56.9 mt -91.15 82.29 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.985 1 N-CA-C 88.382 -8.377 . . . . 0.0 88.382 162.847 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -24.81 86.73 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 2 CA-C-N 104.04 -5.982 . . . . 0.0 109.337 -158.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . 0.312 3.9 tm0? -21.17 73.41 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 2 CA-C-O 130.877 5.132 . . . . 0.0 114.579 -158.488 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.1 -39.15 2.26 Favored 'General case' 0 CA--C 1.554 1.115 3 CA-C-N 95.944 -9.662 . . . . 0.0 103.864 -169.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -47.64 -52.57 17.6 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 117.068 2.247 . . . . 0.0 117.068 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.38 25.28 13.18 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.746 1.858 . . . . 0.0 117.746 169.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.55 1.03 8.88 Favored 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 126.381 1.872 . . . . 0.0 114.137 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 80.03 90.68 0.05 Allowed 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 128.785 2.834 . . . . 0.0 108.073 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -144.04 150.52 38.34 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.269 1.028 . . . . 0.0 111.027 -172.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.8 t -156.79 111.87 2.84 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 p -156.38 130.79 8.76 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.633 1.173 . . . . 0.0 108.974 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.11 -44.09 31.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 -176.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -38.31 90.57 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.46 -29.78 70.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.215 1.406 . . . . 0.0 114.186 169.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -90.01 -38.31 13.71 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.632 1.573 . . . . 0.0 110.065 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.269 49.7 mt -51.18 -47.84 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 C-N-CA 127.645 2.378 . . . . 0.0 110.406 167.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -58.25 -42.76 87.12 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 125.289 1.435 . . . . 0.0 114.684 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.42 -30.64 71.05 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.6 m -63.56 -46.54 85.45 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.249 1.42 . . . . 0.0 113.652 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -71.83 -40.78 68.86 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 116.534 -1.698 . . . . 0.0 114.004 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -60.67 -47.9 84.19 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 120.712 1.596 . . . . 0.0 115.135 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.1 t -69.92 -34.1 73.04 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -73.76 -46.37 46.06 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.829 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.22 -43.72 87.86 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 120.69 1.586 . . . . 0.0 114.357 169.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.2 t -63.38 -28.38 69.95 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -67.65 -40.95 84.53 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 124.96 1.304 . . . . 0.0 114.021 169.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -72.9 -34.05 66.4 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.06 1.3 . . . . 0.0 112.255 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.74 -42.47 93.26 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.69 -44.12 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.043 0 CA-C-O 117.127 -1.416 . . . . 0.0 114.216 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.54 -35.18 53.01 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.04 1.866 . . . . 0.0 116.04 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.7 p -90.43 -54.98 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.126 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.184 174.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.6 tpp -60.86 -42.27 97.52 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 121.292 1.86 . . . . 0.0 114.397 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.0 m -65.71 -27.8 68.6 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 168.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.49 -45.25 55.12 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.332 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.67 -35.2 72.2 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 169.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -54.15 -41.32 68.31 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.888 1.675 . . . . 0.0 115.256 169.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.4 -30.23 19.65 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.429 -2.224 . . . . 0.0 116.241 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.9 m -57.78 -42.3 83.83 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 122.296 2.317 . . . . 0.0 114.572 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.5 -51.09 21.52 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.217 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 m -69.33 -36.1 76.59 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.85 -29.95 68.37 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 115.098 -2.382 . . . . 0.0 113.012 168.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -80.58 28.79 0.32 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.529 1.968 . . . . 0.0 115.269 169.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -134.74 -21.95 1.68 Allowed 'General case' 0 N--CA 1.513 2.691 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.05 -70.74 0.37 Allowed 'General case' 0 N--CA 1.517 2.889 0 C-N-CA 125.186 1.394 . . . . 0.0 108.966 -177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -92.24 -8.91 43.98 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.913 2.085 . . . . 0.0 108.201 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . 0.299 3.5 t 53.07 53.97 11.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 127.35 3.453 . . . . 0.0 111.762 -164.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? . . . . . 0 CA--C 1.535 0.397 1 CA-C-N 104.306 -5.861 . . . . 0.0 113.043 -168.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -70.43 -36.05 73.75 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -59.49 -42.74 92.8 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.53 -42.29 78.69 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 116.426 -1.749 . . . . 0.0 112.679 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.28 -39.3 63.83 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 121.039 1.745 . . . . 0.0 114.711 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.62 -38.46 89.49 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.781 -1.58 . . . . 0.0 113.289 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.67 -45.07 95.58 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.455 -1.736 . . . . 0.0 115.217 169.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.33 -37.99 89.44 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 7.5 mt-10 -68.72 -43.97 74.86 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.524 1.93 . . . . 0.0 115.483 173.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -73.07 -24.88 60.73 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.75 -50.06 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 CA-C-N 120.946 1.703 . . . . 0.0 113.609 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.7 -30.26 63.27 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.68 -48.41 69.38 Favored 'General case' 0 CA--C 1.577 1.996 0 CA-C-O 117.237 -1.363 . . . . 0.0 112.626 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.266 18.0 mt -54.86 -62.89 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.571 0 C-N-CA 125.06 1.344 . . . . 0.0 108.858 169.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -45.24 -37.21 4.46 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.76 -50.24 69.83 Favored Glycine 0 CA--C 1.556 2.616 0 C-N-CA 124.422 1.01 . . . . 0.0 114.733 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -64.09 -35.84 82.06 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 116.823 -1.56 . . . . 0.0 114.817 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.83 -46.27 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.666 0 CA-C-N 120.712 1.597 . . . . 0.0 110.802 170.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.32 -43.09 92.73 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 169.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -68.15 -22.81 64.84 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -76.16 -66.21 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-O 115.352 -2.261 . . . . 0.0 106.287 169.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.21 17.76 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.56 -43.25 39.77 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.845 -1.55 . . . . 0.0 112.199 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -68.81 -46.44 68.64 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 116.571 -1.68 . . . . 0.0 113.503 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.91 -45.93 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 126.148 1.779 . . . . 0.0 110.846 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.52 -33.34 67.96 Favored 'General case' 0 N--CA 1.508 2.427 0 CA-C-N 120.466 1.485 . . . . 0.0 113.835 168.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -35.11 76.35 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 168.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.01 -49.47 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.04 0 C-N-CA 125.899 1.68 . . . . 0.0 111.593 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.36 -22.88 66.86 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -78.97 -38.54 36.65 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.35 1.432 . . . . 0.0 112.209 168.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -75.13 -46.03 37.1 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.619 1.567 . . . . 0.0 114.308 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -64.07 -27.13 68.89 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.3 m -90.47 -39.62 12.5 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 116.215 -1.85 . . . . 0.0 114.001 169.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.29 -30.24 68.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.276 25.8 mt -86.45 -28.98 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.573 0 CA-C-O 116.183 -1.865 . . . . 0.0 107.675 169.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.66 -24.23 66.98 Favored 'General case' 0 CA--C 1.593 2.622 0 CA-C-N 122.306 2.321 . . . . 0.0 110.847 164.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.81 -49.13 14.93 Favored 'General case' 0 CA--C 1.567 1.607 0 CA-C-O 114.835 -2.507 . . . . 0.0 110.185 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -93.65 77.43 0.04 OUTLIER Pre-proline 0 CA--C 1.585 2.299 0 CA-C-N 123.203 2.729 . . . . 0.0 111.441 166.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -63.91 -5.35 8.94 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.492 3.462 . . . . 0.0 116.187 167.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -129.02 78.83 75.68 Favored Pre-proline 0 CA--C 1.595 2.681 0 N-CA-C 104.181 -2.526 . . . . 0.0 104.181 168.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -96.12 -162.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 124.013 3.142 . . . . 0.0 113.86 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.41 153.02 41.64 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.77 1.228 . . . . 0.0 111.956 169.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.65 -24.47 21.78 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -29.86 69.13 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 171.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -64.47 -54.83 26.38 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 116.36 -1.781 . . . . 0.0 114.359 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -20.2 33.32 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-O 115.484 -2.198 . . . . 0.0 115.773 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.93 -32.28 73.92 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 121.906 2.139 . . . . 0.0 112.752 168.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.01 -33.95 50.93 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 114.434 -2.698 . . . . 0.0 114.674 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.59 -37.8 79.48 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 123.881 3.037 . . . . 0.0 115.446 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.65 -26.49 66.24 Favored 'General case' 0 N--CA 1.505 2.288 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.829 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -73.92 -52.62 12.32 Favored 'General case' 0 CA--C 1.573 1.845 0 CA-C-O 115.712 -2.089 . . . . 0.0 112.667 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.18 -33.6 76.13 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -72.51 -42.2 65.07 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.706 1.594 . . . . 0.0 112.709 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.6 p -62.19 -31.35 71.85 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 168.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.36 -47.63 69.84 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.548 1.539 . . . . 0.0 114.428 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.71 -41.66 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.272 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.063 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -56.28 -53.38 57.88 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 120.819 1.645 . . . . 0.0 113.793 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.85 -42.27 73.79 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.925 -1.512 . . . . 0.0 114.975 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 46.3 m -73.22 -62.77 1.35 Allowed 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 114.545 -2.645 . . . . 0.0 109.36 173.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.35 -30.25 18.05 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 124.371 3.259 . . . . 0.0 117.465 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -71.4 -46.1 61.09 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.364 168.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -55.84 -36.73 67.85 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 168.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' THR . 38.3 t -82.67 -51.35 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 127.098 2.159 . . . . 0.0 108.808 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -53.33 -40.54 64.92 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m -63.27 -34.4 77.6 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 171.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -73.67 -28.62 61.85 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 120.79 1.632 . . . . 0.0 113.823 169.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -44.99 90.15 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 169.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -61.17 -38.17 85.53 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -58.47 -25.21 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 169.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mm -78.35 -51.08 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-O 116.314 -1.803 . . . . 0.0 109.522 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -61.35 -30.9 70.81 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.23 -43.25 99.18 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 116.585 -1.674 . . . . 0.0 115.137 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.2 m -77.91 -32.59 51.79 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 mt -79.36 -53.84 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -51.4 -20.45 1.78 Allowed 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -81.21 -50.48 9.52 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-O 115.61 -2.138 . . . . 0.0 111.046 169.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.7 -11.01 60.51 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.322 0.5 OUTLIER -75.06 -70.02 0.44 Allowed 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 126.415 1.886 . . . . 0.0 110.756 179.1 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.13 -9.83 37.39 Favored Glycine 0 CA--C 1.556 2.644 0 N-CA-C 119.313 2.485 . . . . 0.0 119.313 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.263 0.8 OUTLIER -72.64 -50.95 21.68 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.271 -1.824 . . . . 0.0 113.293 175.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.1 p30 146.93 93.22 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 129.683 3.193 . . . . 0.0 106.427 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -143.98 146.58 33.02 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.849 0.859 . . . . 0.0 109.903 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -150.22 91.28 1.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 m -151.52 154.56 36.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.492 1.117 . . . . 0.0 110.887 -170.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.17 86.24 2.98 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 124.603 2.144 . . . . 0.0 108.227 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -166.62 -57.75 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 110.681 -2.963 . . . . 0.0 107.831 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -9.87 59.1 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 169.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -90.81 -43.9 9.77 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.865 2.066 . . . . 0.0 109.447 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.256 17.9 mt -55.35 -49.4 73.09 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.518 0 C-N-CA 127.384 2.274 . . . . 0.0 110.667 168.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -59.6 -41.04 89.44 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.95 -33.22 75.24 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 168.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.2 m -61.57 -50.08 74.08 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 125.242 1.417 . . . . 0.0 113.437 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -76.47 -37.52 56.76 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 116.353 -1.784 . . . . 0.0 115.002 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.03 -45.62 91.45 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 121.09 1.768 . . . . 0.0 115.689 171.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -68.98 -33.41 73.64 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.0 m -76.44 -45.29 32.02 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 116.846 -1.549 . . . . 0.0 112.216 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.64 -40.61 92.62 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-O 116.533 -1.699 . . . . 0.0 114.972 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.0 p -68.2 -23.34 64.82 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -69.59 -46.84 65.39 Favored 'General case' 0 CA--C 1.575 1.942 0 C-N-CA 125.167 1.387 . . . . 0.0 113.018 169.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.93 -31.0 70.44 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 120.395 1.452 . . . . 0.0 113.072 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.37 -46.5 86.21 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.864 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.13 -43.84 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.365 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.21 -32.37 69.88 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -88.96 -53.23 9.83 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.263 0 CA-C-O 115.122 -2.371 . . . . 0.0 108.716 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.8 tpp -64.79 -45.59 85.66 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 122.942 2.61 . . . . 0.0 114.18 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.4 m -62.79 -26.54 68.77 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -79.41 -46.04 18.34 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 117.094 -1.432 . . . . 0.0 112.377 169.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.56 -32.62 69.08 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 169.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.74 -41.47 73.95 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 120.09 1.313 . . . . 0.0 113.852 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.16 -21.85 45.88 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.9 m -60.84 -23.85 65.42 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.85 -49.96 26.91 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 120.731 1.605 . . . . 0.0 113.391 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 t -75.27 -34.32 61.35 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.97 -8.65 54.7 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 115.828 -2.035 . . . . 0.0 113.214 167.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.19 -26.72 67.53 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 121.448 1.931 . . . . 0.0 113.311 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -151.77 12.82 0.61 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 120.017 3.339 . . . . 0.0 120.017 -166.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.68 -40.19 87.04 Favored 'General case' 0 N--CA 1.529 3.485 0 CA-C-O 124.11 1.91 . . . . 0.0 110.256 168.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' A' ' 146' ' ' LYS 0.255 16.7 tpp180 -166.41 -54.52 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 1 N-CA-C 97.375 -5.046 . . . . 0.0 97.375 165.446 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.2 t 69.18 -31.9 0.21 Allowed 'General case' 0 N--CA 1.513 2.713 0 CA-C-N 124.757 3.435 . . . . 0.0 115.322 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 144' ' ' ARG . 53.4 mttp . . . . . 0 N--CA 1.504 2.243 0 C-N-CA 128.9 2.88 . . . . 0.0 111.916 170.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 102.114 -3.291 . . . . 0.0 102.114 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -57.0 -38.47 73.12 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.16 -41.39 18.54 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.638 -1.649 . . . . 0.0 113.924 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mtp -67.11 -36.66 82.41 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 116.313 -1.803 . . . . 0.0 113.631 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -61.29 -45.09 95.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 120.882 1.674 . . . . 0.0 114.662 169.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.23 -38.97 81.3 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 120.862 1.665 . . . . 0.0 113.966 169.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.53 -46.52 86.62 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -68.61 -41.35 79.66 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 116.252 -1.833 . . . . 0.0 115.602 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -66.69 -37.86 85.59 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -66.08 -40.66 91.0 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.98 -50.31 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.722 0 CA-C-O 116.813 -1.565 . . . . 0.0 112.585 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -28.04 64.63 Favored 'General case' 0 N--CA 1.509 2.487 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.7 -42.89 49.72 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.478 1.111 . . . . 0.0 111.699 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.254 26.6 mm -54.03 -58.19 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.434 0 C-N-CA 126.727 2.011 . . . . 0.0 110.455 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -46.39 -33.93 4.26 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.18 -50.82 59.86 Favored Glycine 0 CA--C 1.556 2.631 0 CA-C-O 118.73 -1.039 . . . . 0.0 114.442 168.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.64 -36.69 76.88 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 168.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.23 -49.36 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.697 0 C-N-CA 126.105 1.762 . . . . 0.0 110.37 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.82 -42.54 79.76 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -63.55 -21.6 66.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 169.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.52 -63.72 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.224 0 CA-C-O 115.639 -2.124 . . . . 0.0 106.773 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.32 -24.05 6.89 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 119.08 2.993 . . . . 0.0 119.08 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.3 -46.23 42.47 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 116.737 -1.601 . . . . 0.0 112.257 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -69.29 -45.57 69.29 Favored 'General case' 0 CA--C 1.568 1.649 0 CA-C-N 120.837 1.653 . . . . 0.0 113.904 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.09 -46.46 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 125.896 1.678 . . . . 0.0 111.025 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.98 -37.62 77.25 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 116.523 -1.703 . . . . 0.0 114.437 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.82 -35.63 80.51 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.39 1.45 . . . . 0.0 114.627 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.2 t -54.4 -51.01 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.988 0 CA-C-O 117.081 -1.437 . . . . 0.0 110.205 169.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.69 -24.42 67.63 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -77.67 -38.56 47.36 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.212 1.369 . . . . 0.0 112.158 168.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -76.82 -47.94 19.98 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -30.7 68.69 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 118.756 2.873 . . . . 0.0 118.756 -172.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.705 ' HA ' HD12 ' A' ' 62' ' ' LEU . 60.6 m -90.12 -15.38 31.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 175.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.18 -17.62 27.25 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.271 -1.347 . . . . 0.0 114.33 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.04 -36.2 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.419 -169.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -37.86 -43.04 0.65 Allowed 'General case' 0 N--CA 1.534 3.764 0 CA-C-N 124.174 3.17 . . . . 0.0 114.338 168.559 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' H ' HD13 ' A' ' 62' ' ' LEU 0.254 . . -127.25 111.29 13.77 Favored 'General case' 0 N--CA 1.428 -1.558 1 N-CA-C 98.946 -4.464 . . . . 0.0 98.946 169.607 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -91.69 85.75 0.2 Allowed Pre-proline 0 CA--C 1.558 1.273 0 CA-C-N 111.896 -2.411 . . . . 0.0 106.676 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 63' ' ' ALA . 6.1 Cg_endo -75.89 4.44 5.19 Favored 'Trans proline' 0 CA--C 1.582 2.898 0 CA-C-N 123.805 2.395 . . . . 0.0 113.605 168.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -152.82 -53.85 0.02 OUTLIER Pre-proline 0 CA--C 1.59 2.512 0 CA-C-O 112.083 -3.818 . . . . 0.0 109.537 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -72.12 175.8 9.37 Favored 'Trans proline' 0 C--N 1.403 3.409 1 CA-C-N 128.937 4.228 . . . . 0.0 114.354 -172.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -142.21 -162.75 1.46 Allowed 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 125.666 1.586 . . . . 0.0 108.457 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.35 -17.62 5.15 Favored 'General case' 0 N--CA 1.512 2.657 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 169.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -55.99 -45.29 79.04 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 116.977 -1.487 . . . . 0.0 113.569 169.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.7 p -78.29 -34.23 48.93 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.571 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.72 -36.97 84.7 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 121.083 1.765 . . . . 0.0 114.924 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.87 -35.8 66.89 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.55 -29.59 64.91 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 116.49 -1.719 . . . . 0.0 115.278 169.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.1 mt -62.55 -35.69 80.25 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 121.205 1.821 . . . . 0.0 114.907 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.97 -21.47 66.5 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 168.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.07 -52.44 8.75 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 114.87 -2.49 . . . . 0.0 112.205 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.46 -35.84 82.25 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 123.428 2.831 . . . . 0.0 117.341 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.2 mtt -70.42 -43.06 70.74 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.127 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -66.74 -27.8 67.91 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 168.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.83 -43.6 75.19 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 171.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.47 -37.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-O 117.073 -1.442 . . . . 0.0 109.986 173.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.39 -49.01 75.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.785 1.634 . . . . 0.0 114.924 169.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -68.82 -46.6 68.19 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 117.296 -1.335 . . . . 0.0 114.234 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -70.83 -58.51 3.55 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 114.826 -2.512 . . . . 0.0 110.189 172.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.04 -35.17 46.28 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 123.458 2.845 . . . . 0.0 115.618 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -69.97 -41.4 74.5 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 122.288 2.313 . . . . 0.0 113.469 169.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -55.82 -36.49 67.53 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -89.72 -55.78 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.934 1.694 . . . . 0.0 110.065 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.263 20.5 ptt180 -59.21 -45.08 92.05 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.303 1.441 . . . . 0.0 113.225 -172.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -62.56 -19.57 63.81 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 168.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.89 -46.88 12.44 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.649 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.34 -21.37 63.83 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 120.993 1.724 . . . . 0.0 113.44 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.255 15.6 tppt? -59.23 -32.1 69.66 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-O 116.266 -1.826 . . . . 0.0 114.07 168.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -62.67 -24.79 67.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.96 -49.78 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 C-N-CA 126.135 1.774 . . . . 0.0 109.177 170.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.97 -27.43 68.27 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.42 -34.51 75.52 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 170.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 34.9 t -73.81 -57.0 4.28 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.982 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -56.67 -33.89 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.297 0 CA-C-O 113.09 -3.338 . . . . 0.0 109.984 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -15.9 42.17 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 123.488 2.858 . . . . 0.0 115.122 167.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -81.2 -3.18 51.44 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 119.956 1.253 . . . . 0.0 109.993 166.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.678 ' O ' HD22 ' A' ' 106' ' ' LEU 0.392 2.4 pt-20 55.79 57.8 4.94 Favored 'General case' 0 C--O 1.201 -1.491 1 C-N-CA 131.994 4.118 . . . . 0.0 107.016 -168.092 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 99' ' ' SER . 9.6 mt-10 -91.66 87.15 6.21 Favored 'General case' 0 N--CA 1.481 1.123 1 CA-C-O 128.93 4.205 . . . . 0.0 105.493 168.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.74 -21.35 0.91 Allowed Glycine 0 CA--C 1.56 2.859 2 CA-C-N 99.604 -7.998 . . . . 0.0 115.354 -166.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -40.06 -49.13 2.54 Favored 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 175.516 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.664 ' H ' HD23 ' A' ' 106' ' ' LEU . 18.5 t-20 -140.22 79.91 1.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 125.11 1.506 . . . . 0.0 108.017 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -152.0 121.93 7.07 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.3 m -135.28 92.44 2.85 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -140.19 1.47 1.81 Allowed 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 -175.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 54.96 -32.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -169.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.76 -41.11 98.05 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 116.492 -1.718 . . . . 0.0 114.37 169.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.02 -28.51 67.79 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -86.88 -37.43 17.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.062 1.745 . . . . 0.0 109.811 -169.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.251 52.2 mt -51.9 -38.84 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.978 0 C-N-CA 127.799 2.439 . . . . 0.0 110.602 166.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -47.34 81.66 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 127.144 2.178 . . . . 0.0 112.498 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -62.54 -33.24 74.52 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.306 1.442 . . . . 0.0 113.814 168.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -63.83 -44.5 93.01 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 124.677 1.191 . . . . 0.0 113.713 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.91 -44.94 45.95 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 115.833 -2.032 . . . . 0.0 113.625 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.0 -41.8 97.21 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 121.909 2.14 . . . . 0.0 115.888 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -66.86 -35.5 80.16 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 m -73.93 -46.65 42.91 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 120.036 1.289 . . . . 0.0 112.001 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.58 -46.06 73.66 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.16 1.784 . . . . 0.0 113.618 169.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.8 m -69.1 -29.63 67.76 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 169.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -61.74 -48.05 82.47 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.462 -1.733 . . . . 0.0 113.58 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -71.56 -24.27 61.9 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.359 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -39.07 77.6 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 169.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.18 -44.56 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 C-N-CA 125.202 1.401 . . . . 0.0 109.4 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -56.07 -8.9 0.52 Allowed 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.29 -55.25 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.153 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.9 mmm -65.41 -41.68 93.37 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 122.405 2.366 . . . . 0.0 114.199 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 61.4 m -61.87 -26.72 68.31 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 121.004 1.729 . . . . 0.0 115.446 168.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.31 -44.83 43.38 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-O 117.109 -1.424 . . . . 0.0 111.47 168.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -57.8 -29.38 64.85 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.05 -47.95 75.53 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 117.242 -1.361 . . . . 0.0 114.235 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.81 62.15 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 m -71.58 -49.14 43.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 117.117 -1.421 . . . . 0.0 112.602 171.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.1 -48.84 72.24 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.5 m -64.79 -35.68 81.88 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 171.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.48 -15.76 62.84 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.218 -2.325 . . . . 0.0 115.422 169.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.86 -46.21 25.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 122.178 2.263 . . . . 0.0 113.804 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.8 -26.31 20.63 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.69 -60.64 2.06 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 113.688 -3.053 . . . . 0.0 103.088 168.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -93.0 82.19 4.61 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 127.386 3.469 . . . . 0.0 109.082 166.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 p -106.03 -38.16 6.4 Favored 'General case' 0 CA--C 1.568 1.657 2 N-CA-C 93.34 -6.541 . . . . 0.0 93.34 162.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--N 1.376 1.758 0 C-N-CA 126.955 2.102 . . . . 0.0 107.352 165.587 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -63.27 -41.6 99.04 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -75.0 -43.84 51.58 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.5 mmm -71.61 -34.87 70.23 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.649 -1.644 . . . . 0.0 113.098 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -58.05 -42.52 85.59 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 116.012 -1.947 . . . . 0.0 114.24 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -39.79 91.32 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 121.273 1.852 . . . . 0.0 114.564 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.94 -43.84 70.15 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 169.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -70.4 -39.82 74.26 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.34 -42.71 99.14 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.78 -27.39 66.71 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.59 -47.0 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.567 0 CA-C-O 116.36 -1.781 . . . . 0.0 111.192 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.98 -28.8 40.02 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.56 -45.16 19.75 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 116.928 -1.51 . . . . 0.0 112.127 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 21.1 mm -57.3 -37.55 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-O 114.809 -2.52 . . . . 0.0 112.537 174.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -56.65 -28.99 61.78 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-N 122.736 2.516 . . . . 0.0 114.101 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.35 -47.08 65.43 Favored Glycine 0 CA--C 1.558 2.765 0 CA-C-O 117.619 -1.656 . . . . 0.0 112.767 167.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.06 -35.56 71.52 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.59 -54.0 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.539 1.536 . . . . 0.0 109.756 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -38.94 72.97 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -63.01 -27.61 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -78.98 -59.91 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.054 0 CA-C-O 115.389 -2.243 . . . . 0.0 106.705 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.19 10.78 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 118.895 2.924 . . . . 0.0 118.895 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.2 -47.01 21.38 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 120.059 1.299 . . . . 0.0 113.018 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.57 -37.6 84.46 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.98 -47.42 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 CA-C-O 116.184 -1.865 . . . . 0.0 110.902 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -54.36 -31.36 54.41 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.77 -48.38 54.65 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -50.19 -41.67 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.213 0 C-N-CA 125.042 1.337 . . . . 0.0 111.857 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.7 -31.62 72.85 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 115.476 -2.202 . . . . 0.0 115.569 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -75.3 -35.24 61.3 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-N 121.791 2.087 . . . . 0.0 113.243 168.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -69.56 -45.89 67.69 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.092 1.757 . . . . 0.0 115.401 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -69.89 -14.36 62.7 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 118.931 2.937 . . . . 0.0 118.931 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.2 t -90.1 -23.31 21.42 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 -30.95 17.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.932 169.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.555 1.15 0 CA-C-O 114.178 -2.82 . . . . 0.0 114.029 -167.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt . . . . . 0 CA--C 1.575 1.913 0 CA-C-O 115.574 -2.155 . . . . 0.0 114.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.91 -40.62 4.7 Favored 'General case' 0 CA--C 1.587 2.383 0 CA-C-N 122.664 2.484 . . . . 0.0 114.973 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.33 -23.6 21.09 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 115.706 -2.092 . . . . 0.0 116.001 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.37 -38.76 92.41 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 122.806 2.548 . . . . 0.0 115.714 -172.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.69 -21.65 63.08 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.99 -59.69 2.68 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.787 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.68 -37.24 85.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 123.057 2.662 . . . . 0.0 117.609 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.9 mtt -72.98 -43.04 62.68 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.29 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -68.07 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 168.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.74 -45.81 73.91 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.49 -42.99 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.585 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -52.12 -42.42 63.28 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 121.863 2.119 . . . . 0.0 115.637 170.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.27 -50.2 49.07 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.342 1.428 . . . . 0.0 114.463 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -66.56 -49.33 66.78 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 115.721 -2.085 . . . . 0.0 112.477 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.17 -42.97 41.59 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -69.86 -37.19 76.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 169.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -59.79 -46.94 87.64 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.3 -52.77 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 C-N-CA 125.744 1.618 . . . . 0.0 113.381 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -51.97 -38.33 56.19 Favored 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.5 m -70.25 -24.33 63.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 169.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -79.9 -26.05 40.37 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 122.073 2.215 . . . . 0.0 112.392 169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.287 84.2 mt -70.98 -43.75 67.39 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.364 2.266 . . . . 0.0 113.481 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -60.66 -46.42 90.38 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 115.391 -2.243 . . . . 0.0 112.164 168.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.1 p -51.88 -27.95 14.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm -76.59 -48.7 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 CA-C-O 115.85 -2.024 . . . . 0.0 109.937 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -62.42 -41.55 98.78 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 121.364 1.893 . . . . 0.0 114.75 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -59.79 -42.43 93.35 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 126.605 1.962 . . . . 0.0 114.442 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.471 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.65 -40.49 87.86 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 169.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.55 -33.66 68.35 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.699 1.6 . . . . 0.0 115.276 169.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -90.64 -36.83 14.16 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.504 1.522 . . . . 0.0 109.56 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.26 -37.25 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.863 0 C-N-CA 126.591 1.956 . . . . 0.0 109.873 166.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -65.66 -45.63 82.19 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 125.415 1.486 . . . . 0.0 112.566 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -65.43 -30.0 70.75 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -61.53 -48.21 82.06 Favored 'General case' 0 CA--C 1.58 2.102 0 CA-C-N 120.026 1.285 . . . . 0.0 113.778 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -70.93 -37.71 72.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 116.613 -1.661 . . . . 0.0 114.482 170.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.4 -46.07 91.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.9 p -65.04 -28.18 69.31 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.7 m -77.86 -45.06 25.35 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.232 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.66 -46.42 88.26 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -72.49 -30.62 64.68 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 128' ' ' VAL . 27.8 tpt180 -68.48 -41.85 79.54 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.45 170.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -70.19 -37.05 75.02 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 120.943 1.702 . . . . 0.0 113.416 169.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.01 -37.51 87.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 116.07 -1.919 . . . . 0.0 115.414 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 125' ' ' ARG . 2.1 p -70.18 -43.06 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-N 121.06 1.755 . . . . 0.0 113.807 174.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 -32.9 35.49 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.54 -52.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 115.631 -2.128 . . . . 0.0 112.259 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.1 tpp -64.14 -43.7 94.44 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.122 2.237 . . . . 0.0 114.406 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.4 t -64.31 -27.49 69.06 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -42.09 63.89 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-O 117.218 -1.372 . . . . 0.0 112.367 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -35.65 78.46 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.75 -41.41 81.88 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.388 -1.291 . . . . 0.0 113.747 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.37 59.49 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 168.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.0 m -66.78 -46.02 76.63 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.856 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.66 -44.91 84.87 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 116.714 -1.612 . . . . 0.0 114.255 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.0 m -66.96 -39.32 87.22 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 115.754 -2.069 . . . . 0.0 115.204 169.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.81 -17.88 61.92 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.455 1.934 . . . . 0.0 116.112 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 CA--C 1.573 1.852 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 169.193 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.566 1.562 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.49 -43.91 92.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 121.451 1.932 . . . . 0.0 115.438 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -78.28 -42.86 29.69 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.1 mmt -69.88 -36.61 75.6 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 116.279 -1.82 . . . . 0.0 114.377 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -63.19 -42.27 99.32 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 115.7 -2.095 . . . . 0.0 115.006 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.51 -43.53 85.02 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-N 122.047 2.203 . . . . 0.0 114.569 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.34 -42.68 99.08 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.925 -1.988 . . . . 0.0 116.149 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -71.52 -34.18 69.86 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 121.403 1.911 . . . . 0.0 115.623 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.309 1.3 pt-20 -68.76 -44.89 72.78 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 174.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.29 -39.76 92.96 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -53.04 -45.96 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.884 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.1 -30.51 62.17 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 170.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.83 -41.74 67.82 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.426 1.09 . . . . 0.0 112.044 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.67 -49.11 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 CA-C-O 116.533 -1.699 . . . . 0.0 111.11 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.22 -29.79 70.04 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.57 50.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 116.188 1.235 . . . . 0.0 116.188 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -61.07 -40.91 95.48 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 169.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.4 -38.69 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.8 0 CA-C-O 116.567 -1.683 . . . . 0.0 110.594 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.51 -43.66 98.26 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 116.462 -1.733 . . . . 0.0 114.83 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.19 -37.28 86.63 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 121.157 1.799 . . . . 0.0 113.8 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.19 -60.84 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.232 0 CA-C-O 115.158 -2.353 . . . . 0.0 106.186 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.52 -22.3 43.45 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.34 -46.59 26.88 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 116.908 -1.52 . . . . 0.0 111.78 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -67.79 -47.1 70.07 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 120.842 1.656 . . . . 0.0 113.544 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.63 -46.22 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 0 C-N-CA 127.131 2.172 . . . . 0.0 111.243 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.11 -36.23 74.8 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.857 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.53 -40.81 80.6 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 120.389 1.449 . . . . 0.0 114.054 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 t -51.56 -42.74 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 CA-C-N 120.642 1.564 . . . . 0.0 110.859 169.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -59.56 -36.38 76.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.12 -34.75 68.81 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 119.605 1.093 . . . . 0.0 113.491 169.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.66 -46.48 53.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -36.81 78.57 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -74.62 -45.35 45.55 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.336 -1.792 . . . . 0.0 115.203 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.75 68.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.978 2.214 . . . . 0.0 116.978 169.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.205 169.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt . . . . . 0 N--CA 1.503 2.224 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -40.2 -38.57 0.79 Allowed 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 127.063 2.145 . . . . 0.0 116.543 168.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.94 -27.34 30.64 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 115.612 -2.137 . . . . 0.0 115.14 169.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.66 -33.72 70.42 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 122.495 2.407 . . . . 0.0 116.562 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.31 -28.35 67.09 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.561 168.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.88 -53.86 13.57 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.83 -2.034 . . . . 0.0 112.251 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.64 -29.94 70.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.3 mtt -75.09 -47.27 29.56 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.894 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.22 -19.72 64.78 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.84 -48.2 22.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.26 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.3 -39.06 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.449 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.71 -47.57 76.62 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-O 116.239 -1.839 . . . . 0.0 114.583 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 120.947 1.703 . . . . 0.0 114.792 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 89' ' ' VAL . 89.3 m -73.57 -61.99 1.64 Allowed 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 114.943 -2.456 . . . . 0.0 109.568 172.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.21 -31.65 8.96 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 123.782 2.992 . . . . 0.0 117.656 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.17 -47.75 48.47 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 117.522 -1.228 . . . . 0.0 112.459 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -54.72 -31.95 58.97 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 85' ' ' THR . 98.1 t -86.79 -54.87 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 127.283 2.233 . . . . 0.0 108.083 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.67 -41.71 67.16 Favored 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 m -60.79 -30.12 69.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -75.87 -37.01 59.34 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.605 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.22 -42.66 99.3 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -58.66 -37.22 75.51 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 170.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.8 m -64.0 -25.38 68.1 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.1 mp -76.49 -51.59 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 CA-C-O 116.205 -1.855 . . . . 0.0 108.59 169.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.47 -42.8 95.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 169.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 174.054 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -36.46 82.03 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.77 -30.44 71.45 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 125.772 1.629 . . . . 0.0 114.873 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -90.95 -33.39 15.6 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.496 1.518 . . . . 0.0 111.825 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 mt -53.0 -47.17 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.511 0 C-N-CA 126.719 2.007 . . . . 0.0 111.092 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -56.41 -44.08 79.98 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 124.897 1.279 . . . . 0.0 114.193 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -62.67 -37.6 87.07 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.788 1.635 . . . . 0.0 115.106 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.6 m -63.55 -45.46 90.4 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.236 1.414 . . . . 0.0 113.934 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.68 -38.45 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.917 -1.992 . . . . 0.0 114.745 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -63.54 -35.91 82.03 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.448 1.931 . . . . 0.0 115.861 172.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -66.95 -39.87 87.38 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -68.81 -44.72 72.94 Favored 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 120.121 1.328 . . . . 0.0 112.908 169.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 -43.51 83.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.548 1.539 . . . . 0.0 114.055 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -69.49 -28.69 66.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -67.21 -37.93 84.46 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -39.27 55.3 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.789 1.632 . . . . 0.0 113.393 169.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -60.55 -35.96 77.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 116.032 -1.937 . . . . 0.0 114.874 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.43 -44.82 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-N 121.139 1.79 . . . . 0.0 114.229 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.27 -31.03 30.74 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -98.68 -50.06 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.086 0 CA-C-O 115.828 -2.034 . . . . 0.0 112.855 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.9 -45.61 88.58 Favored 'General case' 0 N--CA 1.505 2.292 0 CA-C-N 121.886 2.13 . . . . 0.0 113.825 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.4 t -64.9 -28.92 69.87 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.27 -44.68 67.94 Favored 'General case' 0 CA--C 1.577 1.996 0 C-N-CA 125.171 1.389 . . . . 0.0 112.184 168.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -60.12 -36.25 77.05 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.31 -43.21 92.66 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-O 117.211 -1.376 . . . . 0.0 114.22 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.31 60.9 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 169.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.7 m -67.73 -46.68 71.45 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.724 -1.608 . . . . 0.0 113.57 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -66.02 -46.3 78.41 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.336 -1.792 . . . . 0.0 113.849 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 50.5 m -63.38 -31.2 72.29 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.31 -27.59 67.28 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.363 -1.779 . . . . 0.0 115.297 169.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 CA--C 1.574 1.876 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 170.453 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.55 -37.94 80.37 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -79.39 -45.79 18.85 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.908 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -70.43 -37.17 74.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.185 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.08 -40.41 89.45 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 120.553 1.524 . . . . 0.0 113.618 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -36.88 85.08 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.184 1.356 . . . . 0.0 114.346 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -60.06 -49.21 78.53 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-O 116.466 -1.73 . . . . 0.0 114.93 169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.76 -34.34 76.63 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.71 -44.95 84.54 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 126.517 1.927 . . . . 0.0 116.073 169.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -70.25 -20.22 63.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.05 -48.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-O 116.392 -1.766 . . . . 0.0 111.614 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.76 -27.8 60.09 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.86 2.541 . . . . 0.0 117.86 173.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.73 -35.99 57.45 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 117.205 -1.379 . . . . 0.0 112.981 168.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.294 19.3 mt -60.43 -64.02 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.515 2.797 0 C-N-CA 125.223 1.409 . . . . 0.0 108.48 169.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.05 -33.64 8.34 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 171.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.11 -50.19 70.32 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-O 118.307 -1.274 . . . . 0.0 114.96 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.8 -43.21 97.0 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 116.599 -1.667 . . . . 0.0 113.513 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.3 mt -58.51 -47.47 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.754 0 C-N-CA 125.768 1.627 . . . . 0.0 110.623 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -54.71 -44.41 73.43 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -67.22 -22.4 65.71 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 116.196 -1.859 . . . . 0.0 115.987 169.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.21 -66.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 CA-C-O 115.16 -2.352 . . . . 0.0 105.879 168.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -22.13 60.65 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.71 -46.37 25.76 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 116.631 -1.652 . . . . 0.0 111.567 169.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.19 -42.54 72.27 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.301 1.864 . . . . 0.0 113.385 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.0 -46.24 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 C-N-CA 126.515 1.926 . . . . 0.0 111.096 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.88 -34.51 69.85 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-N 120.834 1.652 . . . . 0.0 114.031 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.55 -43.61 84.61 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.67 -48.97 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.832 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.439 171.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.22 -27.89 69.3 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -76.36 -35.23 58.79 Favored 'General case' 0 N--CA 1.508 2.475 0 CA-C-N 120.555 1.525 . . . . 0.0 113.325 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -76.01 -43.3 44.85 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -73.66 -47.71 37.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.56 -1.686 . . . . 0.0 115.061 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.69 -22.03 65.29 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt . . . . . 0 N--CA 1.499 2.008 0 CA-C-O 116.439 -1.743 . . . . 0.0 108.173 174.328 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 117.247 -1.358 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -44.44 -36.87 3.1 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 115.794 1.776 . . . . 0.0 115.794 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.64 -28.89 51.47 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 115.1 -2.381 . . . . 0.0 115.289 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.93 -41.79 96.9 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 122.97 2.623 . . . . 0.0 116.141 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.14 -30.17 71.38 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.68 -52.78 13.84 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.786 -2.055 . . . . 0.0 112.922 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.26 -34.63 78.8 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 mmt -71.45 -44.39 64.91 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 116.982 -1.485 . . . . 0.0 113.645 170.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -65.82 -28.16 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 169.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.17 -45.92 72.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.4 mt -68.91 -39.59 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-O 115.857 -2.02 . . . . 0.0 110.16 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.31 -49.5 75.9 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 121.619 2.009 . . . . 0.0 114.075 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.12 -43.58 70.71 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.6 1.546 . . . . 0.0 114.189 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 m -68.39 -50.24 54.39 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-O 115.719 -2.086 . . . . 0.0 112.654 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.89 69.26 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -69.8 -37.67 76.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 170.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 120.807 1.639 . . . . 0.0 114.773 169.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.36 -52.97 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.113 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -53.9 -44.49 70.54 Favored 'General case' 0 N--CA 1.515 2.776 0 CA-C-N 120.849 1.659 . . . . 0.0 114.139 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -59.4 -30.1 68.2 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -71.41 -38.93 71.39 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.008 169.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.37 -47.22 76.13 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 169.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 115.714 -2.089 . . . . 0.0 115.194 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 t -59.1 -20.7 55.82 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 169.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.09 -48.94 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.26 0 CA-C-O 116.061 -1.923 . . . . 0.0 108.005 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.4 -42.98 97.07 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 121.485 1.948 . . . . 0.0 115.494 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.62 -40.28 96.49 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 173.256 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -40.05 77.28 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 119.953 1.252 . . . . 0.0 113.015 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.1 -33.03 74.57 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 125.615 1.566 . . . . 0.0 114.416 168.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -91.65 -43.66 9.48 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.705 1.602 . . . . 0.0 112.579 -168.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.6 mt -44.53 -47.06 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.776 0 C-N-CA 126.292 1.837 . . . . 0.0 112.237 167.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.24 -45.37 76.93 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.184 1.794 . . . . 0.0 112.218 -174.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.42 -24.43 64.74 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 116.476 -1.726 . . . . 0.0 114.591 168.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.6 m -65.82 -52.9 46.8 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 120.885 1.675 . . . . 0.0 112.963 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.71 -38.52 67.47 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 116.661 -1.638 . . . . 0.0 114.922 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.91 -45.15 93.46 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 172.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.5 m -69.28 -34.33 74.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -72.68 -47.12 49.94 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-N 120.176 1.353 . . . . 0.0 112.124 169.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.77 -44.65 82.03 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.86 1.664 . . . . 0.0 114.241 169.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.9 m -64.71 -33.6 76.33 Favored 'General case' 0 CA--C 1.565 1.549 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.781 -1.581 . . . . 0.0 114.459 170.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -68.42 -33.74 74.76 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.922 1.237 . . . . 0.0 113.776 169.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.41 -41.45 89.5 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.1 t -73.11 -47.4 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.403 0 C-N-CA 125.509 1.523 . . . . 0.0 109.581 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.03 -11.52 0.09 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 116.89 2.182 . . . . 0.0 116.89 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.66 -53.93 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 CA-C-O 116.123 -1.894 . . . . 0.0 111.88 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.8 mmt -59.47 -41.13 89.06 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 121.643 2.019 . . . . 0.0 115.463 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.5 p -69.46 -29.83 67.59 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.62 -40.66 69.64 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.009 1.277 . . . . 0.0 111.403 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.96 -35.22 77.82 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.77 -44.09 73.35 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.672 1.589 . . . . 0.0 115.063 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.15 49.2 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 169.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.7 m -65.76 -45.57 82.05 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.871 1.669 . . . . 0.0 113.95 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -66.63 -47.8 71.47 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.195 -1.859 . . . . 0.0 113.932 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.2 t -68.1 -35.9 78.91 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.53 -12.58 61.66 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.23 -1.843 . . . . 0.0 115.072 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.3 t80 . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 121.203 1.819 . . . . 0.0 110.841 168.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -35.08 76.02 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.25 -43.91 22.81 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.2 mmm -68.33 -37.44 80.55 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 116.66 -1.638 . . . . 0.0 113.229 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -59.31 -43.49 92.64 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 116.487 -1.72 . . . . 0.0 113.901 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -37.26 82.59 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.91 1.686 . . . . 0.0 113.632 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -62.44 -41.83 99.01 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 116.182 -1.866 . . . . 0.0 115.676 169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -67.22 -39.42 86.27 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.19 -41.76 76.72 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.4 -26.94 67.48 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.63 -47.86 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 CA-C-O 116.581 -1.676 . . . . 0.0 111.307 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.55 -26.87 34.68 Favored 'General case' 0 CA--C 1.58 2.131 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -71.42 -53.46 13.95 Favored 'General case' 0 CA--C 1.586 2.339 0 C-N-CA 124.85 1.26 . . . . 0.0 111.296 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.255 17.1 mm -44.25 -47.76 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.569 0 C-N-CA 127.411 2.284 . . . . 0.0 112.772 169.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -55.68 -36.62 67.33 Favored 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -51.83 55.86 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 170.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -58.32 -37.74 75.72 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 169.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.6 -50.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 125.581 1.552 . . . . 0.0 110.321 176.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.83 -41.67 74.62 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -30.88 70.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.24 -62.85 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 CA-C-O 115.512 -2.185 . . . . 0.0 107.655 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.14 19.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 118.642 2.83 . . . . 0.0 118.642 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.03 -45.27 50.71 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 116.689 -1.624 . . . . 0.0 112.399 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.84 -42.92 69.55 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 115.979 -1.962 . . . . 0.0 113.981 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.41 -47.83 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-N 121.007 1.73 . . . . 0.0 110.448 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.96 -34.34 65.61 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-N 120.535 1.516 . . . . 0.0 114.218 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.13 -38.5 82.25 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.63 -51.24 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 0 CA-C-O 116.188 -1.863 . . . . 0.0 110.718 171.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -65.75 -18.63 65.46 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -80.98 -31.92 34.57 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 120.548 1.522 . . . . 0.0 111.486 167.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -73.37 -71.17 0.33 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.982 1.313 . . . . 0.0 112.157 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -43.4 -33.93 1.16 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 119.172 3.027 . . . . 0.0 119.172 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 m -88.59 -28.79 20.47 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.386 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 -13.88 60.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 121.94 2.155 . . . . 0.0 116.185 169.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -175.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.81 -42.83 99.51 Favored 'General case' 0 CA--C 1.578 2.031 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 168.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.76 -21.95 56.95 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 115.997 -1.954 . . . . 0.0 116.187 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.77 -34.07 77.02 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 122.352 2.342 . . . . 0.0 114.937 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -21.66 66.58 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 119.842 1.201 . . . . 0.0 114.081 168.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.08 -54.87 6.2 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-O 114.773 -2.537 . . . . 0.0 111.628 169.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -29.48 70.31 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 123.144 2.702 . . . . 0.0 117.74 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.7 mmt -69.86 -49.04 56.22 Favored 'General case' 0 N--CA 1.505 2.296 0 CA-C-O 116.978 -1.487 . . . . 0.0 112.772 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.44 -26.04 67.78 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -69.77 -42.08 74.29 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 116.122 -1.894 . . . . 0.0 115.12 171.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.5 mt -77.24 -38.11 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 CA-C-N 121.279 1.854 . . . . 0.0 109.887 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -59.66 -42.67 93.36 Favored 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 121.011 1.732 . . . . 0.0 114.74 169.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -68.19 -51.6 43.79 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.694 1.588 . . . . 0.0 113.651 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -65.14 -57.99 7.17 Favored 'General case' 0 CA--C 1.573 1.848 0 CA-C-O 115.054 -2.403 . . . . 0.0 110.862 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.63 -33.19 45.57 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 114.851 -2.499 . . . . 0.0 116.078 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -68.4 -37.1 80.03 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 122.273 2.306 . . . . 0.0 114.661 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -60.48 -34.15 73.63 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.473 1.488 . . . . 0.0 114.505 168.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.15 -60.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.681 1.592 . . . . 0.0 109.34 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -53.27 -50.44 64.83 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 126.682 1.993 . . . . 0.0 113.602 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -60.41 -23.8 64.65 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 168.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -73.9 -39.96 63.5 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 117.247 -1.359 . . . . 0.0 114.375 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.0 -45.05 91.59 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 127.269 2.228 . . . . 0.0 115.33 170.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -63.54 -28.32 69.86 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 115.441 -2.219 . . . . 0.0 116.128 169.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.9 m -69.38 -28.08 65.88 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 121.643 2.02 . . . . 0.0 115.7 168.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.2 mm -77.49 -46.77 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.542 169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -64.02 -39.52 94.28 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 120.389 1.45 . . . . 0.0 114.805 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.56 -41.28 97.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.086 -1.435 . . . . 0.0 114.583 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 178.199 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -49.81 -44.02 48.95 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.99 -36.16 62.62 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 126.617 1.967 . . . . 0.0 114.541 168.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.0 -38.17 13.0 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.604 1.962 . . . . 0.0 110.584 -169.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.14 -48.98 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.564 0 C-N-CA 128.519 2.728 . . . . 0.0 110.635 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.03 -45.59 75.2 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 125.429 1.492 . . . . 0.0 114.359 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -62.11 -35.31 78.33 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.7 m -62.14 -49.56 75.38 Favored 'General case' 0 CA--C 1.58 2.126 0 C-N-CA 125.341 1.456 . . . . 0.0 113.666 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -78.85 -35.3 44.11 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 115.948 -1.977 . . . . 0.0 116.25 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -62.48 -45.88 91.01 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 121.647 2.022 . . . . 0.0 115.576 170.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -64.15 -39.63 94.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m -70.03 -43.39 71.39 Favored 'General case' 0 CA--C 1.58 2.113 0 CA-C-O 117.309 -1.329 . . . . 0.0 112.67 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.9 mt -57.08 -42.96 81.66 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 116.895 -1.526 . . . . 0.0 114.103 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p -63.11 -27.53 69.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 168.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -69.37 -42.08 75.67 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 116.592 -1.671 . . . . 0.0 114.813 169.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -72.07 -34.2 68.53 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 121.422 1.919 . . . . 0.0 113.387 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.04 -43.02 99.84 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 169.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.71 -43.14 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.381 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.68 -33.43 64.12 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -88.59 -53.06 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 CA-C-O 115.191 -2.338 . . . . 0.0 109.155 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.34 -43.48 77.4 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.896 2.589 . . . . 0.0 113.562 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.5 m -60.98 -27.51 68.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.795 1.634 . . . . 0.0 114.698 168.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.57 -41.72 62.56 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 125.503 1.521 . . . . 0.0 111.687 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.02 -34.56 76.44 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.74 -43.4 90.24 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 117.159 -1.401 . . . . 0.0 114.216 169.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.9 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.5 m -67.0 -49.51 65.13 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-N 120.653 1.569 . . . . 0.0 113.431 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.62 -47.04 73.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 116.138 -1.887 . . . . 0.0 113.835 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 54.7 m -66.66 -37.13 84.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 171.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.04 -16.56 63.17 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 115.944 -1.979 . . . . 0.0 114.818 168.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.497 1.881 0 CA-C-N 121.394 1.906 . . . . 0.0 114.981 169.732 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 102.639 -3.097 . . . . 0.0 102.639 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.09 -27.86 67.69 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -66.38 -45.51 79.83 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.92 -34.94 78.88 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 117.002 -1.475 . . . . 0.0 114.016 169.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.67 -42.91 84.51 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.939 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.25 -41.76 97.45 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.67 168.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.03 -40.78 86.07 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 116.384 -1.77 . . . . 0.0 115.398 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -65.66 -44.2 87.05 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.34 -40.97 81.4 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.22 -19.07 65.72 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.73 -47.28 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 CA-C-O 116.049 -1.929 . . . . 0.0 111.823 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.87 -27.64 44.13 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.35 -49.11 52.72 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.668 1.187 . . . . 0.0 112.595 169.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.261 28.0 mt -53.84 -54.96 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.9 0 C-N-CA 126.222 1.809 . . . . 0.0 110.79 169.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -53.92 -31.4 50.05 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.77 41.89 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-O 118.313 -1.27 . . . . 0.0 114.495 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -59.76 -29.86 68.47 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 116.76 -1.591 . . . . 0.0 115.234 168.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -69.42 -53.49 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 CA-C-O 116.392 -1.766 . . . . 0.0 109.459 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -48.97 -40.81 31.91 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 169.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -64.74 -15.56 61.71 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mm -77.87 -67.78 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.219 0 CA-C-O 115.245 -2.312 . . . . 0.0 105.761 169.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.48 10.49 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.34 -46.86 38.05 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.847 -1.549 . . . . 0.0 111.923 169.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -69.9 -42.72 73.02 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 116.067 -1.921 . . . . 0.0 113.654 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 t -60.47 -46.71 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 120.872 1.669 . . . . 0.0 110.864 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.34 -34.75 66.88 Favored 'General case' 0 N--CA 1.508 2.436 0 CA-C-N 120.517 1.508 . . . . 0.0 113.895 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 25.7 tt0 -68.99 -39.18 79.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-O 117.039 -1.457 . . . . 0.0 113.431 168.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.8 t -47.63 -44.84 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.275 0 CA-C-N 120.573 1.533 . . . . 0.0 112.285 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -67.13 -35.23 79.28 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 116.168 -1.872 . . . . 0.0 115.289 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 26.9 ptt180 -74.51 -22.71 58.91 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 120.95 1.704 . . . . 0.0 113.436 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -75.41 -59.2 2.85 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 125.957 1.703 . . . . 0.0 114.219 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.22 -38.97 92.95 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -169.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 m -77.65 -38.91 46.77 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 116.041 -1.933 . . . . 0.0 115.593 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.85 67.87 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.504 2.274 0 CA-C-O 115.177 -2.344 . . . . 0.0 108.121 169.712 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt . . . . . 0 N--CA 1.501 2.117 0 CA-C-O 117.476 -1.25 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.08 -35.74 48.6 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 168.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.35 -18.36 49.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 115.249 -2.31 . . . . 0.0 115.395 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.667 2.94 . . . . 0.0 114.814 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.96 -22.55 67.02 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 116.919 -1.515 . . . . 0.0 113.241 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.78 -50.92 21.31 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 114.514 -2.66 . . . . 0.0 112.531 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.38 -41.99 94.92 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 123.278 2.763 . . . . 0.0 115.978 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.79 -42.81 73.27 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.153 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.8 p -64.43 -32.12 73.61 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 168.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.33 -46.72 85.31 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.623 1.569 . . . . 0.0 115.164 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.9 mt -74.39 -33.83 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 CA-C-O 116.239 -1.839 . . . . 0.0 110.29 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -60.44 -45.11 94.86 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 121.126 1.784 . . . . 0.0 113.977 169.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -72.58 -45.0 61.29 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 116.378 -1.772 . . . . 0.0 114.16 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 m -70.91 -48.71 52.16 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 115.273 -2.299 . . . . 0.0 112.683 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.21 89.37 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 114.617 -2.611 . . . . 0.0 114.136 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.8 -31.69 72.8 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 122.682 2.492 . . . . 0.0 115.872 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.51 -42.45 87.73 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.27 -53.76 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 C-N-CA 125.759 1.624 . . . . 0.0 114.401 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -55.04 -49.67 70.99 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.784 1.633 . . . . 0.0 113.849 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -60.12 -21.45 61.59 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -89.58 -39.44 13.27 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.321 1.3 tt -64.76 -38.75 92.04 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.337 1.855 . . . . 0.0 113.521 171.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -57.98 -41.83 83.79 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.485 1.948 . . . . 0.0 114.124 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -53.04 -26.76 16.82 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 168.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -72.13 -48.07 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.341 0 CA-C-O 116.299 -1.81 . . . . 0.0 109.108 169.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -46.5 87.98 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.2 -39.51 82.85 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 169.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -54.6 -40.46 68.89 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.0 -25.62 67.16 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -90.29 -34.15 15.85 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.75 1.62 . . . . 0.0 109.981 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.1 mt -60.85 -47.23 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.79 0 C-N-CA 127.711 2.405 . . . . 0.0 109.302 167.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -54.98 -41.25 70.96 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.104 1.762 . . . . 0.0 115.151 170.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 168.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -59.84 -44.74 93.92 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 125.478 1.511 . . . . 0.0 113.868 172.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -79.96 -40.22 28.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 115.658 -2.115 . . . . 0.0 114.437 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -63.04 -45.81 90.51 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 122.22 2.282 . . . . 0.0 115.263 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 t -70.09 -32.79 71.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 m -76.87 -44.71 30.96 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.992 -1.48 . . . . 0.0 111.912 169.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -59.94 -45.29 93.1 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.669 169.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -61.36 -26.74 68.03 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 169.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -68.88 -41.62 78.06 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -75.94 -34.54 59.86 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.515 1.507 . . . . 0.0 112.754 168.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.03 -34.91 77.1 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.61 -44.76 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.827 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.23 -30.28 62.14 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 173.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.46 -58.16 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 114.587 -2.625 . . . . 0.0 107.768 173.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.6 mmm -66.2 -41.79 89.71 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 123.548 2.886 . . . . 0.0 114.209 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.4 t -61.93 -25.49 67.61 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 120.967 1.712 . . . . 0.0 115.492 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.61 -47.3 19.7 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 116.793 -1.575 . . . . 0.0 112.213 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.44 -27.29 64.21 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 170.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -64.63 -45.73 85.59 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 117.346 -1.311 . . . . 0.0 114.45 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.85 62.75 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 116.898 -1.525 . . . . 0.0 114.461 168.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.1 m -68.16 -35.86 78.73 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 116.065 -1.922 . . . . 0.0 115.454 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -71.87 -43.81 64.81 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 116.211 -1.852 . . . . 0.0 114.396 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.4 t -74.27 -41.37 61.35 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 121.245 1.839 . . . . 0.0 113.772 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.77 2.82 4.81 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.698 -1.62 . . . . 0.0 113.536 168.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.375 1.708 0 CA-C-N 121.429 1.922 . . . . 0.0 108.264 165.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.562 1.426 0 CA-C-O 117.365 -1.302 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.21 -36.52 80.12 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.53 -48.18 15.78 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 116.368 -1.777 . . . . 0.0 113.124 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.08 -15.75 61.49 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.516 1.962 . . . . 0.0 114.276 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -68.24 -40.93 81.86 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.138 1.79 . . . . 0.0 110.426 167.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.36 -35.85 76.67 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.217 167.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -58.85 -48.24 82.06 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.13 -1.89 . . . . 0.0 113.901 168.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -60.89 -32.77 72.22 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.25 9.5 mt-10 -64.11 -47.78 78.65 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 126.358 1.863 . . . . 0.0 115.428 169.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.85 -14.57 62.0 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.95 -48.45 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 116.54 -1.695 . . . . 0.0 110.296 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.46 -28.72 31.92 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 169.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.06 -47.82 64.36 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.171 -1.395 . . . . 0.0 112.618 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.264 22.2 mt -55.12 -61.86 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 CA-C-N 120.142 1.337 . . . . 0.0 109.314 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -48.77 -34.34 12.08 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.7 -48.4 84.48 Favored Glycine 0 CA--C 1.557 2.658 0 CA-C-O 118.786 -1.008 . . . . 0.0 114.471 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -63.58 -36.57 84.25 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-O 116.797 -1.573 . . . . 0.0 114.894 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.84 -46.4 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.705 0 CA-C-N 120.779 1.627 . . . . 0.0 110.915 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.13 -43.17 99.43 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -67.64 -17.29 64.55 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -80.21 -65.55 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 CA-C-O 115.378 -2.249 . . . . 0.0 105.813 169.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -26.68 15.36 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.13 -44.05 55.19 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.938 -1.506 . . . . 0.0 112.605 169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.82 -43.95 74.49 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.472 1.487 . . . . 0.0 114.05 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.31 -46.49 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 C-N-CA 126.088 1.755 . . . . 0.0 110.99 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.8 -36.26 80.58 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 116.525 -1.703 . . . . 0.0 115.099 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.27 -36.78 85.17 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 120.636 1.562 . . . . 0.0 114.939 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.76 -53.95 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.013 0 C-N-CA 125.391 1.476 . . . . 0.0 110.888 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.5 -15.75 40.84 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -49.87 18.66 Favored 'General case' 0 CA--C 1.589 2.447 0 C-N-CA 124.352 1.061 . . . . 0.0 109.433 167.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -81.85 -44.25 17.14 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.432 1.493 . . . . 0.0 114.124 -172.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -50.5 -26.62 5.36 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 119.033 2.975 . . . . 0.0 119.033 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -90.05 -12.72 37.67 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 170.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.55 -31.41 22.7 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 117.001 -1.476 . . . . 0.0 109.826 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.554 1.1 0 CA-C-O 114.366 -2.731 . . . . 0.0 114.772 -168.096 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 106.768 -1.568 . . . . 0.0 106.768 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.19 -34.32 66.12 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.19 -32.09 16.76 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 115.633 -2.127 . . . . 0.0 115.324 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.65 -34.97 79.04 Favored 'General case' 0 N--CA 1.507 2.393 0 CA-C-N 122.747 2.521 . . . . 0.0 115.086 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.07 -18.54 63.48 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 121.675 2.034 . . . . 0.0 115.339 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.45 -50.15 11.23 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 114.96 -2.448 . . . . 0.0 110.772 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.96 -37.25 29.7 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 122.886 2.585 . . . . 0.0 117.474 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.1 mtt -70.16 -45.84 65.91 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.683 2.038 . . . . 0.0 113.291 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -64.7 -20.49 66.35 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.17 -47.24 52.35 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 124.907 1.283 . . . . 0.0 113.869 169.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -65.78 -41.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.318 0 CA-C-O 116.415 -1.755 . . . . 0.0 110.465 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.54 -45.75 84.71 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 120.826 1.648 . . . . 0.0 114.394 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -65.53 -47.26 76.54 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 120.401 1.455 . . . . 0.0 114.729 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 m -70.24 -63.19 1.13 Allowed 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 115.455 -2.212 . . . . 0.0 110.07 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.36 -33.02 12.58 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.41 -43.35 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 116.332 -1.794 . . . . 0.0 113.861 169.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.74 -35.27 75.96 Favored 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 120.983 1.719 . . . . 0.0 114.939 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.09 -54.86 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 C-N-CA 125.838 1.655 . . . . 0.0 109.348 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -55.78 -43.33 76.69 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-N 120.426 1.466 . . . . 0.0 114.596 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 -30.48 71.38 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -70.23 -33.18 71.34 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.36 -46.47 73.27 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 117.169 -1.396 . . . . 0.0 114.001 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.07 -27.44 68.35 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 115.389 -2.243 . . . . 0.0 116.44 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.3 p -68.75 -31.38 70.39 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.944 2.156 . . . . 0.0 116.569 168.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.8 mm -74.36 -47.9 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 116.688 -1.625 . . . . 0.0 110.18 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.72 -44.06 97.1 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -63.12 -39.57 95.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.758 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.08 0 N-CA-C 118.82 2.896 . . . . 0.0 118.82 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.03 -36.74 84.08 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.624 1.712 . . . . 0.0 115.624 171.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.53 -20.33 65.41 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.56 -32.76 36.55 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 126.901 2.08 . . . . 0.0 109.644 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.257 15.9 mt -65.57 -50.21 73.22 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.927 0 C-N-CA 128.063 2.545 . . . . 0.0 107.552 166.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -52.89 -44.34 66.84 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 126.26 1.824 . . . . 0.0 114.564 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -61.41 -36.08 79.3 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 125.704 1.602 . . . . 0.0 114.886 168.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -63.38 -48.88 76.06 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 125.301 1.44 . . . . 0.0 113.54 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.82 75.34 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 169.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.31 -36.75 85.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.019 -1.943 . . . . 0.0 115.057 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -70.15 -32.48 70.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.9 m -72.04 -48.66 42.83 Favored 'General case' 0 CA--C 1.582 2.204 0 CA-C-O 117.254 -1.355 . . . . 0.0 112.014 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -69.27 -41.26 77.11 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.362 -1.78 . . . . 0.0 115.435 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -56.71 -42.16 78.66 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.113 1.779 . . . . 0.0 114.872 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.75 -33.33 73.72 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 117.53 -1.224 . . . . 0.0 113.423 168.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.84 -44.24 97.23 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 169.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.52 -46.8 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 C-N-CA 125.635 1.574 . . . . 0.0 110.016 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.39 -13.43 0.57 Allowed 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -108.0 -57.06 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 116.509 -1.71 . . . . 0.0 107.403 169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.4 tpt -58.73 -39.4 80.75 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 121.263 1.847 . . . . 0.0 115.51 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.9 p -68.28 -33.07 73.68 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 169.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -71.49 -40.74 70.0 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 116.843 -1.551 . . . . 0.0 112.917 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -64.77 -32.9 74.79 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.819 169.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -57.86 -43.45 85.94 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 120.41 1.459 . . . . 0.0 114.375 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.5 -25.73 60.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 169.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.2 m -58.7 -44.37 90.29 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 120.305 1.412 . . . . 0.0 114.404 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -69.5 -47.31 64.24 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.7 t -66.44 -48.54 69.63 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 115.418 -2.229 . . . . 0.0 114.499 170.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.49 -29.69 37.41 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.5 t80 . . . . . 0 CA--C 1.58 2.103 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 168.794 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 116.663 -1.637 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.78 -47.2 75.96 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.378 1.899 . . . . 0.0 114.788 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -80.95 -37.54 29.28 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.402 -1.761 . . . . 0.0 114.763 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.4 mtp -69.18 -38.71 78.81 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 116.096 -1.907 . . . . 0.0 113.579 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.11 -42.27 94.36 Favored 'General case' 0 N--CA 1.505 2.285 0 CA-C-N 121.63 2.014 . . . . 0.0 114.223 169.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.21 -30.67 71.59 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.506 1.503 . . . . 0.0 114.464 168.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.63 -46.73 88.53 Favored 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 116.473 -1.727 . . . . 0.0 115.337 170.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.05 -37.47 75.55 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.39 -42.25 91.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -67.26 -27.41 67.18 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.63 -47.54 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-O 116.274 -1.822 . . . . 0.0 111.534 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -56.68 -29.91 62.85 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.6 -31.23 52.82 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.687 1.13 . . . . 0.0 113.457 168.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.257 24.1 mt -62.76 -60.9 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.744 0 C-N-CA 124.797 1.239 . . . . 0.0 108.921 169.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -45.28 -33.88 2.62 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.52 65.94 Favored Glycine 0 CA--C 1.555 2.539 0 CA-C-O 118.305 -1.275 . . . . 0.0 114.621 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.34 -38.87 91.17 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.389 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.34 -48.84 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 C-N-CA 125.671 1.588 . . . . 0.0 111.409 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.68 -44.53 85.86 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 169.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -59.8 -27.25 66.42 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -73.21 -64.02 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.253 0 CA-C-O 115.325 -2.274 . . . . 0.0 106.776 169.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.19 26.36 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.39 -47.63 47.78 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 117.167 -1.397 . . . . 0.0 112.267 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -68.92 -41.94 77.46 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 116.454 -1.736 . . . . 0.0 113.873 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.7 -47.0 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.804 -2.046 . . . . 0.0 110.76 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.41 -34.33 72.33 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 121.364 1.893 . . . . 0.0 115.432 169.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.97 -47.8 76.3 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -46.56 -48.81 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.305 0 C-N-CA 125.209 1.404 . . . . 0.0 111.592 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.8 -29.27 70.59 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.252 -1.832 . . . . 0.0 115.622 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -78.07 -34.28 50.41 Favored 'General case' 0 N--CA 1.511 2.618 0 CA-C-N 120.504 1.502 . . . . 0.0 112.728 168.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.88 -42.74 60.28 Favored 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 125.948 1.699 . . . . 0.0 115.552 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -37.33 82.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 -168.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.1 m -89.98 -17.09 28.53 Favored 'General case' 0 N--CA 1.513 2.686 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 -23.0 22.64 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.596 168.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 mt . . . . . 0 CA--C 1.567 1.606 0 CA-C-O 114.605 -2.616 . . . . 0.0 112.659 -171.178 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.75 -36.4 64.77 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 169.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -75.74 -25.38 56.51 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-O 116.858 -1.544 . . . . 0.0 114.18 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.75 -32.61 71.89 Favored 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 120.98 1.718 . . . . 0.0 115.497 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.72 -22.49 66.06 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 117.521 -1.228 . . . . 0.0 114.098 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.69 -52.66 10.01 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 115.375 -2.25 . . . . 0.0 112.414 170.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -36.24 82.35 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 122.4 2.364 . . . . 0.0 116.848 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -66.49 -44.94 81.23 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.987 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -65.49 -24.68 67.21 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 168.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.54 -41.95 71.85 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.907 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.08 -39.36 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.546 0 CA-C-N 121.638 2.017 . . . . 0.0 110.505 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.72 -45.99 85.02 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-N 121.818 2.099 . . . . 0.0 114.602 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.77 -47.18 63.89 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.573 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -67.32 -49.57 63.61 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 115.791 -2.052 . . . . 0.0 112.957 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 -40.19 68.66 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 115.195 -2.336 . . . . 0.0 115.416 170.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -67.93 -34.49 76.7 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 121.33 1.877 . . . . 0.0 116.039 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -63.05 -42.75 99.78 Favored 'General case' 0 CA--C 1.582 2.179 0 CA-C-N 120.471 1.487 . . . . 0.0 114.468 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 p -79.36 -53.95 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.873 -1.537 . . . . 0.0 113.882 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.254 28.1 ptt180 -57.29 -43.89 83.57 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 120.623 1.556 . . . . 0.0 113.849 -172.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.6 m -69.88 -16.25 63.21 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -88.86 -36.99 15.68 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 120.478 1.49 . . . . 0.0 112.955 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.339 1.7 tt -62.25 -44.27 96.94 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 112.8 169.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -37.8 74.94 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 116.096 -1.906 . . . . 0.0 114.458 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 m -53.99 -28.56 38.56 Favored 'General case' 0 N--CA 1.505 2.275 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.0 mm -70.02 -46.51 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.423 0 CA-C-O 116.686 -1.626 . . . . 0.0 107.477 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -44.04 84.18 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 169.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.91 -42.86 94.8 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 172.034 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.882 1 N-CA-C 121.923 4.045 . . . . 0.0 121.923 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.09 -52.63 9.75 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.852 1.661 . . . . 0.0 113.905 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.64 -2.8 44.3 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -91.07 -47.28 7.64 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 125.31 1.444 . . . . 0.0 109.336 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.27 4.4 mt -51.81 -50.05 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 126.665 1.986 . . . . 0.0 111.56 168.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.84 -42.77 98.42 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 125.159 1.384 . . . . 0.0 114.076 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -67.07 -28.02 67.84 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 m -63.02 -48.18 79.87 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.177 1.353 . . . . 0.0 113.745 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -77.59 -45.11 26.23 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 115.353 -2.26 . . . . 0.0 113.502 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -47.46 -51.55 19.87 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 122.223 2.283 . . . . 0.0 115.208 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -73.03 -31.1 64.23 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -71.72 -46.98 56.94 Favored 'General case' 0 CA--C 1.582 2.202 0 CA-C-N 120.784 1.629 . . . . 0.0 112.399 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.41 -42.8 99.31 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 170.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -62.85 -32.47 73.7 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 116.998 -1.477 . . . . 0.0 114.879 168.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -61.19 -47.86 84.2 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 116.893 -1.527 . . . . 0.0 113.375 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -64.56 -25.05 67.81 Favored 'General case' 0 CA--C 1.578 2.038 0 CA-C-N 119.912 1.233 . . . . 0.0 114.24 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.92 -43.1 93.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 169.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.05 -43.06 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 C-N-CA 125.393 1.477 . . . . 0.0 110.282 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.57 -12.61 1.85 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.53 -59.98 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 CA-C-O 115.697 -2.097 . . . . 0.0 107.251 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mmm -63.29 -37.98 89.36 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.335 2.334 . . . . 0.0 114.985 -171.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -63.06 -28.05 69.82 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.88 -45.78 26.94 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 116.6 -1.667 . . . . 0.0 112.132 169.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -61.35 -26.02 67.54 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 169.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.84 -42.95 99.67 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.358 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.01 60.88 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.1 m -69.74 -47.43 63.06 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.482 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.09 -43.03 95.81 Favored 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 120.517 1.508 . . . . 0.0 114.514 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.9 m -66.94 -28.14 68.05 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 115.893 -2.003 . . . . 0.0 114.9 168.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.49 -31.22 70.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 169.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.503 2.181 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.283 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.95 -43.57 78.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.88 -39.22 30.94 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 116.474 -1.727 . . . . 0.0 114.419 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.5 mtp -69.35 -41.86 76.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-O 116.015 -1.945 . . . . 0.0 113.049 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.05 -41.36 74.93 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 121.413 1.915 . . . . 0.0 114.938 169.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.57 -39.12 93.16 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 120.034 1.288 . . . . 0.0 113.42 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -61.01 -41.54 96.74 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 116.31 -1.805 . . . . 0.0 115.652 169.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.5 -32.62 72.71 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.327 0.5 OUTLIER -73.31 -46.41 49.67 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 125.435 1.494 . . . . 0.0 114.665 176.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.67 -38.0 85.91 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -45.93 -44.07 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -62.13 -41.62 98.43 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.558 -1.687 . . . . 0.0 114.66 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.46 -31.46 69.77 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.48 -55.13 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 CA-C-O 116.443 -1.741 . . . . 0.0 108.586 169.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -44.43 -33.98 1.88 Allowed 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.12 48.04 Favored Glycine 0 CA--C 1.554 2.469 0 C-N-CA 124.893 1.235 . . . . 0.0 113.908 168.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.93 -27.19 69.2 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 116.513 -1.708 . . . . 0.0 115.096 168.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.58 -59.48 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.69 0 CA-C-O 116.633 -1.651 . . . . 0.0 109.014 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.65 -36.77 47.51 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 170.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -63.23 -21.59 66.32 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.56 -67.59 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.225 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.67 29.15 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 118.586 2.81 . . . . 0.0 118.586 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -76.51 -45.45 30.83 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.761 -1.59 . . . . 0.0 112.059 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.68 -43.71 71.95 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.95 1.705 . . . . 0.0 113.831 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.6 -46.13 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 C-N-CA 126.163 1.785 . . . . 0.0 110.82 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.59 -33.75 68.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 120.486 1.493 . . . . 0.0 113.943 168.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -66.76 -43.42 84.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 168.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -46.89 -46.54 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.184 0 C-N-CA 125.797 1.639 . . . . 0.0 112.455 169.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.64 -31.52 70.72 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-O 115.806 -2.045 . . . . 0.0 115.636 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.97 -25.74 61.11 Favored 'General case' 0 CA--C 1.586 2.335 0 CA-C-N 121.332 1.878 . . . . 0.0 112.62 168.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.24 -65.18 1.03 Allowed 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.442 1.897 . . . . 0.0 112.529 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -48.69 -38.55 21.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.0 t -82.19 -31.28 30.45 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.03 -16.95 57.64 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 122.011 2.187 . . . . 0.0 114.839 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.489 1.512 0 C-N-CA 127.548 2.339 . . . . 0.0 106.055 170.105 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 116.687 -1.625 . . . . 0.0 113.676 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.11 -37.41 71.92 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 120.621 1.555 . . . . 0.0 113.386 168.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.9 -13.74 59.78 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.333 -2.27 . . . . 0.0 114.954 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -48.65 66.62 Favored 'General case' 0 N--CA 1.507 2.386 0 CA-C-N 123.337 2.789 . . . . 0.0 113.928 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.86 -27.77 69.39 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -73.07 -52.8 12.97 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.336 -2.269 . . . . 0.0 112.976 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.12 -42.53 84.34 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 122.048 2.204 . . . . 0.0 115.959 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 mmt -66.14 -44.85 82.99 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 117.146 -1.406 . . . . 0.0 113.637 171.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -65.33 -25.83 67.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 168.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.18 -46.24 81.61 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 170.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 mt -69.91 -36.44 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 CA-C-O 116.27 -1.824 . . . . 0.0 110.684 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.39 -49.98 74.73 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 121.062 1.755 . . . . 0.0 113.512 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.36 -43.93 72.58 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 116.7 -1.619 . . . . 0.0 114.304 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 m -68.94 -49.92 53.84 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 115.672 -2.108 . . . . 0.0 112.907 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.58 89.7 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.147 -2.359 . . . . 0.0 114.654 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.91 -33.63 76.02 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 121.487 1.948 . . . . 0.0 115.998 170.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -61.5 -36.87 81.72 Favored 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 p -90.28 -53.72 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 125.658 1.583 . . . . 0.0 113.32 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -57.34 -42.24 81.55 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.053 1.297 . . . . 0.0 114.33 -170.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 m -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.48 -36.67 20.42 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.809 1.641 . . . . 0.0 112.307 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.31 1.3 tt -67.47 -38.56 84.6 Favored 'General case' 0 CA--C 1.583 2.234 0 C-N-CA 125.847 1.659 . . . . 0.0 112.319 169.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.9 -29.98 70.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 115.535 -2.174 . . . . 0.0 114.323 168.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -62.07 -22.29 65.66 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 121.747 2.067 . . . . 0.0 115.971 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.9 mm -77.12 -54.93 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 CA-C-O 115.879 -2.01 . . . . 0.0 108.044 169.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.61 -34.58 74.45 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-N 121.751 2.069 . . . . 0.0 116.113 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -63.11 -41.64 99.39 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.902 1.681 . . . . 0.0 114.882 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 173.458 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -37.4 54.74 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.439 HD12 HH21 ' A' ' 116' ' ' ARG . 15.1 tp -63.64 -33.45 75.65 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 125.799 1.64 . . . . 0.0 114.978 169.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -90.82 -38.45 12.96 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.661 1.584 . . . . 0.0 110.192 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 47.2 mt -51.7 -37.3 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.777 0 C-N-CA 127.623 2.369 . . . . 0.0 110.158 167.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.439 HH21 HD12 ' A' ' 113' ' ' LEU . 13.8 mtm180 -61.44 -46.94 87.97 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.658 1.583 . . . . 0.0 113.025 170.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -63.54 -23.16 67.27 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -63.58 -48.88 75.6 Favored 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.854 1.262 . . . . 0.0 113.503 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -76.08 -40.26 53.48 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 116.011 -1.947 . . . . 0.0 113.974 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.76 -35.06 79.34 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 115.751 -2.071 . . . . 0.0 115.842 170.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -36.01 75.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 169.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m -71.03 -45.73 63.38 Favored 'General case' 0 CA--C 1.583 2.234 0 CA-C-N 119.923 1.238 . . . . 0.0 111.89 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -47.31 86.67 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.664 1.585 . . . . 0.0 114.759 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.4 t -67.88 -45.7 73.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 115.925 -1.988 . . . . 0.0 114.971 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -52.6 -42.22 64.37 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 121.468 1.94 . . . . 0.0 114.813 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -68.05 -33.2 74.12 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 117.448 -1.263 . . . . 0.0 113.392 168.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -40.93 97.14 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 171.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.35 -38.82 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.926 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.82 -6.9 0.6 Allowed 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 169.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.14 -54.41 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 116.685 -1.626 . . . . 0.0 112.653 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.3 mmm -62.82 -40.9 98.82 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.048 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -63.75 -25.72 68.32 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 168.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.05 -41.78 49.67 Favored 'General case' 0 CA--C 1.573 1.843 0 CA-C-O 116.557 -1.687 . . . . 0.0 111.458 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.19 -31.57 63.56 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -64.35 -45.4 87.96 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 117.661 -1.161 . . . . 0.0 114.024 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.11 -15.43 62.97 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.507 167.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 43.5 m -69.45 -41.14 76.67 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 116.18 -1.867 . . . . 0.0 114.846 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.74 -39.29 70.17 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.553 -1.689 . . . . 0.0 114.803 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.2 t -75.64 -42.05 52.55 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.01 169.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.96 -8.01 40.55 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 121.279 1.854 . . . . 0.0 113.002 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.377 1.802 0 CA-C-O 116.366 -1.778 . . . . 0.0 111.873 167.623 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.96 -41.34 91.36 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 121.421 1.919 . . . . 0.0 115.964 -175.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -78.46 -38.58 40.79 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 116.691 -1.623 . . . . 0.0 114.332 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.0 -39.14 83.28 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.073 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.28 -41.86 85.28 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-N 120.472 1.487 . . . . 0.0 114.074 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.83 -33.35 75.79 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 117.187 -1.387 . . . . 0.0 113.919 168.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.55 -45.24 87.95 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 116.213 -1.851 . . . . 0.0 115.459 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -65.32 -34.34 78.09 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 121.144 1.793 . . . . 0.0 115.794 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.73 -45.54 71.24 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 126.459 1.904 . . . . 0.0 115.884 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.59 -38.14 77.22 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.68 -44.88 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.05 -31.0 72.04 Favored 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.53 -41.94 83.55 Favored 'General case' 0 CA--C 1.587 2.371 0 C-N-CA 124.485 1.114 . . . . 0.0 113.46 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 36.8 mt -54.19 -61.17 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 C-N-CA 127.51 2.324 . . . . 0.0 110.098 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -51.07 -29.04 11.88 Favored 'General case' 0 N--CA 1.517 2.907 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.55 -51.98 38.16 Favored Glycine 0 CA--C 1.556 2.602 0 CA-C-O 118.153 -1.36 . . . . 0.0 115.11 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.23 -40.22 89.44 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.1 mt -61.94 -45.24 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.769 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.498 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -49.4 -44.78 45.46 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-N 120.233 1.379 . . . . 0.0 114.279 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -64.56 -23.89 67.42 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.88 -64.11 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.287 0 CA-C-O 115.259 -2.305 . . . . 0.0 106.624 169.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -24.33 10.21 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 119.001 2.963 . . . . 0.0 119.001 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.53 -46.08 34.23 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.862 -1.542 . . . . 0.0 112.277 169.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.18 -44.26 76.31 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 116.435 -1.745 . . . . 0.0 114.121 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.38 -47.68 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 CA-C-O 116.51 -1.71 . . . . 0.0 110.73 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.35 -35.38 67.58 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 120.628 1.558 . . . . 0.0 114.086 169.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' HE ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -68.35 -38.15 81.18 Favored 'General case' 0 CA--C 1.577 1.986 0 CA-C-O 117.115 -1.421 . . . . 0.0 113.786 168.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 78' ' ' LEU . 43.6 t -49.43 -53.65 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 CA-C-O 116.74 -1.6 . . . . 0.0 109.829 169.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -62.83 -27.63 69.46 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HE ' ' HG2' ' A' ' 53' ' ' GLU . 35.9 ptt180 -75.32 -29.3 59.97 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-N 120.605 1.548 . . . . 0.0 112.931 168.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -79.09 -70.57 0.49 Allowed 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 124.409 1.084 . . . . 0.0 112.211 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -25.83 5.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.225 3.046 . . . . 0.0 119.225 -169.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 m -90.82 -34.05 15.45 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 116.119 -1.896 . . . . 0.0 115.538 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 120.94 1.7 . . . . 0.0 114.993 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 116.104 -1.903 . . . . 0.0 108.816 173.691 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 118.641 -0.695 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.75 -34.23 1.48 Allowed 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.23 -25.83 52.03 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 117.198 -1.382 . . . . 0.0 114.139 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.08 -37.52 74.64 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 121.042 1.747 . . . . 0.0 115.553 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.36 -20.54 65.6 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 168.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.52 -57.44 3.82 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 116.592 -1.671 . . . . 0.0 111.937 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -63.7 -29.65 70.85 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 174.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtt -71.61 -55.47 7.7 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 116.326 -1.797 . . . . 0.0 112.118 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 t -55.86 -25.59 42.99 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 117.574 2.435 . . . . 0.0 117.574 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.54 -46.22 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.76 -43.85 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 CA-C-O 114.999 -2.429 . . . . 0.0 110.045 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -63.66 -37.19 86.42 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 122.818 2.553 . . . . 0.0 114.837 170.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -68.16 -46.44 70.77 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.351 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.8 m -72.4 -61.0 1.95 Allowed 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 114.901 -2.476 . . . . 0.0 109.761 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.57 24.05 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 123.688 2.949 . . . . 0.0 117.631 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -71.31 -44.08 65.83 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 117.506 -1.235 . . . . 0.0 112.291 168.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.17 -38.54 71.04 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 168.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.69 -51.75 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 C-N-CA 126.064 1.746 . . . . 0.0 110.673 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -55.94 -39.95 72.47 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -67.48 -18.33 65.02 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.29 -47.28 11.68 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 115.788 -2.053 . . . . 0.0 111.888 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.307 0.7 OUTLIER -68.61 -28.69 67.14 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 122.047 2.203 . . . . 0.0 115.613 169.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.9 -26.37 66.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.541 -2.647 . . . . 0.0 114.728 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.4 m -61.43 -24.31 66.44 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 123.189 2.722 . . . . 0.0 114.876 167.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.43 -49.87 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.133 0 C-N-CA 126.631 1.972 . . . . 0.0 109.254 169.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.63 -36.99 74.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.258 1.844 . . . . 0.0 115.662 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.4 -38.62 77.74 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.164 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -51.87 -40.08 60.02 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 169.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.82 -22.37 66.01 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 169.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.66 -41.98 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.733 1.613 . . . . 0.0 109.642 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.5 mt -50.07 -41.24 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.509 0 C-N-CA 128.281 2.632 . . . . 0.0 111.584 168.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -59.35 -43.65 92.77 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.198 1.399 . . . . 0.0 114.099 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -63.16 -39.47 94.75 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 168.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.3 m -60.22 -44.77 94.91 Favored 'General case' 0 CA--C 1.577 1.982 0 C-N-CA 124.931 1.292 . . . . 0.0 113.991 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -77.01 -42.91 36.69 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 115.275 -2.298 . . . . 0.0 113.512 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.78 -36.34 82.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 122.782 2.537 . . . . 0.0 115.76 172.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.9 m -69.38 -39.9 77.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.8 m -69.87 -44.55 69.57 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 120.817 1.644 . . . . 0.0 113.129 169.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.97 -44.29 91.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-O 116.75 -1.595 . . . . 0.0 113.914 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.5 m -70.02 -25.68 63.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 169.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -68.68 -41.72 78.84 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.5 1.5 . . . . 0.0 114.671 170.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -73.15 -36.66 66.69 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.53 1.514 . . . . 0.0 113.296 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.1 -36.43 84.01 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.5 p -69.66 -44.61 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.721 1.6 . . . . 0.0 113.897 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.37 -29.09 47.33 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.78 -55.09 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 CA-C-O 115.542 -2.171 . . . . 0.0 108.388 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.5 tpt -62.98 -43.36 99.01 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 122.341 2.337 . . . . 0.0 114.335 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -66.37 -30.59 71.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.23 -39.2 71.83 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.036 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.77 -39.94 93.42 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.04 -40.52 76.94 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 169.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.27 61.27 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 169.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.3 m -65.34 -46.91 78.38 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.597 1.544 . . . . 0.0 113.674 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.56 -46.49 47.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.463 -1.732 . . . . 0.0 113.973 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.6 m -64.66 -36.3 83.81 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.23 -32.68 69.06 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.958 -1.496 . . . . 0.0 114.547 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.2 t80 . . . . . 0 N--CA 1.499 2.008 0 CA-C-N 119.939 1.245 . . . . 0.0 113.772 169.364 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.38 -42.0 93.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 120.873 1.67 . . . . 0.0 115.249 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -81.54 -39.02 25.28 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.587 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mtp -71.26 -43.02 68.03 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 115.878 -2.01 . . . . 0.0 112.755 169.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -56.29 -38.64 71.49 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.737 2.062 . . . . 0.0 115.044 169.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.54 -39.83 92.18 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 116.939 -1.505 . . . . 0.0 113.183 169.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.18 -42.87 87.0 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.79 -45.79 70.37 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.33 -38.45 86.95 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 116.817 2.155 . . . . 0.0 116.817 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -70.73 -35.86 72.91 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.19 -48.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 CA-C-O 116.641 -1.647 . . . . 0.0 113.816 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -60.18 -26.7 66.54 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -43.44 64.75 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.474 169.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.271 18.8 mt -60.74 -54.36 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.861 0 C-N-CA 126.041 1.737 . . . . 0.0 110.546 171.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -53.24 -31.41 43.2 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 169.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -50.07 66.21 Favored Glycine 0 CA--C 1.553 2.407 0 CA-C-O 118.17 -1.35 . . . . 0.0 115.332 168.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.34 -43.23 99.22 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-O 116.779 -1.581 . . . . 0.0 113.358 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.67 -46.78 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 C-N-CA 125.794 1.637 . . . . 0.0 111.032 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -50.5 -46.43 57.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -70.16 -21.49 63.06 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 116.478 -1.725 . . . . 0.0 115.235 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.41 -56.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.942 0 CA-C-O 115.096 -2.383 . . . . 0.0 107.915 169.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.47 -35.05 78.1 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 122.568 2.44 . . . . 0.0 116.782 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -68.01 -43.13 79.53 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.74 -1.6 . . . . 0.0 112.489 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.72 -45.16 65.43 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.021 -1.942 . . . . 0.0 113.232 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.265 0.3 OUTLIER -61.41 -47.94 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-N 120.56 1.527 . . . . 0.0 114.495 177.812 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -57.44 -32.91 67.37 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 124.814 1.246 . . . . 0.0 113.085 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 12.5 tt0 -66.83 -47.43 72.0 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 168.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.9 t -44.77 -48.34 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.855 0 C-N-CA 125.445 1.498 . . . . 0.0 111.953 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.85 -26.19 68.22 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.301 -2.285 . . . . 0.0 116.075 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 36.3 ptt180 -80.35 -30.29 37.98 Favored 'General case' 0 N--CA 1.509 2.479 0 CA-C-N 121.944 2.156 . . . . 0.0 113.487 169.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -77.7 -43.36 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.881 2.128 . . . . 0.0 114.287 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -51.01 -30.76 16.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 119.261 3.06 . . . . 0.0 119.261 174.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -82.0 -45.2 15.65 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 116.034 -1.936 . . . . 0.0 114.37 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.59 66.62 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 118.787 2.884 . . . . 0.0 118.787 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 75' ' ' LEU 0.269 39.9 mt . . . . . 0 N--CA 1.503 2.219 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -37.63 -43.92 0.66 Allowed 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -90.03 -25.97 20.54 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.558 -2.163 . . . . 0.0 114.41 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 HD13 ' A' ' 61' ' ' ILE . 96.2 mt -64.16 -35.41 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 122.429 2.377 . . . . 0.0 116.088 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.18 -22.45 66.95 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 168.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.33 -56.95 4.11 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-O 115.15 -2.357 . . . . 0.0 111.799 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -31.59 72.55 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.7 mtt -72.93 -47.09 48.63 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 116.856 -1.545 . . . . 0.0 112.156 170.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -65.79 -16.8 64.13 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.24 -45.85 21.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 115.899 -2.0 . . . . 0.0 113.279 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.12 -44.94 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 121.996 2.18 . . . . 0.0 109.91 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -47.97 -52.83 18.15 Favored 'General case' 0 CA--C 1.59 2.494 0 CA-C-N 123.093 2.679 . . . . 0.0 114.024 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.87 -47.16 66.61 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 117.139 -1.41 . . . . 0.0 114.731 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -56.05 8.39 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 115.548 -2.167 . . . . 0.0 111.384 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.75 -39.4 24.8 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 121.243 1.838 . . . . 0.0 115.741 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.91 -38.38 69.93 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.387 -1.768 . . . . 0.0 115.476 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -62.96 -41.5 99.55 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.874 1.67 . . . . 0.0 114.521 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.96 -52.48 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.225 0 CA-C-O 116.206 -1.854 . . . . 0.0 113.13 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.44 -44.62 92.88 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 121.378 1.899 . . . . 0.0 114.027 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.4 m -60.13 -24.17 64.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 168.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.63 -47.86 14.72 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.245 -1.836 . . . . 0.0 113.966 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.3 -20.51 63.01 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 121.229 1.831 . . . . 0.0 114.353 169.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.276 17.2 tptm -60.2 -51.3 70.17 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-O 116.147 -1.882 . . . . 0.0 111.547 168.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -51.47 -23.28 3.8 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.43 -53.52 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 115.871 -2.014 . . . . 0.0 109.347 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.33 -33.87 75.53 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 121.539 1.972 . . . . 0.0 115.446 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -64.84 -43.62 92.43 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 117.58 2.437 . . . . 0.0 117.58 175.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 125.151 2.405 . . . . 0.0 106.612 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -171.59 -51.89 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.499 0 C-N-CA 129.811 3.245 . . . . 0.0 103.903 -169.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -27.08 67.49 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.358 2.263 . . . . 0.0 112.539 166.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -90.05 -44.69 9.66 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 128.257 2.623 . . . . 0.0 108.417 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.26 -50.2 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.674 0 C-N-CA 127.95 2.5 . . . . 0.0 110.554 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -64.26 -39.46 93.99 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.707 1.603 . . . . 0.0 113.371 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -66.85 -33.1 74.85 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.615 167.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.5 m -58.22 -42.43 86.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -71.57 -44.82 63.81 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.649 -2.12 . . . . 0.0 113.819 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -61.07 -34.45 74.93 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 122.028 2.194 . . . . 0.0 115.924 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.9 m -69.18 -40.22 78.25 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m -69.33 -43.57 73.42 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-N 120.728 1.604 . . . . 0.0 113.088 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.78 -47.52 82.31 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 125.743 1.617 . . . . 0.0 112.761 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.8 t -63.82 -39.86 95.24 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 116.4 -1.762 . . . . 0.0 115.294 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.88 -44.15 77.85 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 120.845 1.657 . . . . 0.0 115.314 173.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -72.57 -27.53 62.25 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.402 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 169.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.2 t -77.73 -44.6 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.754 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.95 -9.68 1.45 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 169.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.7 -66.97 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 CA-C-O 116.108 -1.901 . . . . 0.0 108.107 172.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.2 mmm -63.44 -46.21 87.32 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.895 2.134 . . . . 0.0 113.37 -169.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -21.59 66.75 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 168.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.32 -45.26 40.76 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.396 168.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.99 -35.59 75.34 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 168.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -48.96 -40.56 30.89 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.946 1.298 . . . . 0.0 114.274 168.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.19 52.29 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.427 168.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.9 m -65.67 -48.99 70.25 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.046 1.748 . . . . 0.0 113.584 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -70.31 -46.52 64.1 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.144 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m -71.75 -29.59 64.67 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.84 -17.53 58.93 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 121.241 1.837 . . . . 0.0 113.145 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.492 1.649 0 CA-C-N 120.54 1.518 . . . . 0.0 112.338 169.532 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.566 1.583 0 CA-C-O 116.751 -1.595 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -69.45 -32.63 71.68 Favored 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -62.63 -44.26 96.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mmm -67.03 -37.83 84.82 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.771 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -55.1 -40.64 70.66 Favored 'General case' 0 N--CA 1.505 2.302 0 CA-C-O 117.312 -1.327 . . . . 0.0 114.467 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.71 -37.38 84.58 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.25 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.78 -41.11 97.31 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 116.265 -1.826 . . . . 0.0 115.588 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -68.15 -33.74 75.04 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.31 0.0 OUTLIER -72.7 -45.2 60.01 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 177.363 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.53 -39.63 85.05 Favored 'General case' 0 N--CA 1.503 2.225 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -44.92 -45.3 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.906 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.55 -41.44 97.37 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 116.422 -1.752 . . . . 0.0 114.651 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.0 -26.65 65.12 Favored 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 168.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 21.5 mt -66.7 -54.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.849 0 C-N-CA 125.311 1.444 . . . . 0.0 109.46 169.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -50.04 -34.36 21.15 Favored 'General case' 0 N--CA 1.511 2.604 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.52 58.14 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 124.928 1.252 . . . . 0.0 115.118 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.23 -33.92 76.53 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 116.374 -1.774 . . . . 0.0 114.802 168.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.73 -54.54 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 CA-C-O 116.707 -1.616 . . . . 0.0 109.558 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.81 -45.12 39.89 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.72 -17.51 35.33 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 169.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.9 mm -80.06 -66.14 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 CA-C-O 115.353 -2.26 . . . . 0.0 105.491 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.87 5.02 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.2 -43.34 34.06 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.264 -1.35 . . . . 0.0 113.231 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.88 -40.0 95.51 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.258 -1.83 . . . . 0.0 114.855 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -48.58 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 CA-C-O 116.324 -1.798 . . . . 0.0 110.243 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.75 -33.13 33.58 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 120.942 1.701 . . . . 0.0 115.297 169.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.23 -38.68 71.96 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 117.261 -1.352 . . . . 0.0 113.527 168.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.9 -41.79 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 CA-C-O 116.395 -1.764 . . . . 0.0 112.474 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -33.15 74.48 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 115.343 -2.265 . . . . 0.0 115.658 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -70.01 -28.43 65.49 Favored 'General case' 0 N--CA 1.516 2.856 0 CA-C-N 122.153 2.252 . . . . 0.0 113.795 168.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -74.1 -70.37 0.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.241 1.417 . . . . 0.0 111.617 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -49.43 -23.25 1.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 119.257 3.058 . . . . 0.0 119.257 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -90.82 -38.26 13.09 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.708 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.82 -26.33 44.21 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.253 1.842 . . . . 0.0 114.942 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.567 1.613 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.829 178.293 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt . . . . . 0 N--CA 1.5 2.066 0 CA-C-O 116.011 -1.947 . . . . 0.0 114.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.86 -33.28 35.65 Favored 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 122.5 2.409 . . . . 0.0 115.288 169.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -73.43 -23.15 60.09 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 115.98 -1.962 . . . . 0.0 114.223 168.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.5 mt -56.5 -33.26 65.83 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.11 2.232 . . . . 0.0 115.579 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.62 -28.86 69.9 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.58 -53.2 9.85 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 115.946 -1.978 . . . . 0.0 112.525 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.11 -28.53 69.5 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.1 mtt -72.01 -45.19 61.85 Favored 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 116.945 -1.502 . . . . 0.0 112.554 169.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.97 -26.41 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.63 -43.41 72.74 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 116.448 -1.739 . . . . 0.0 115.086 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.57 -39.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 CA-C-O 115.882 -2.009 . . . . 0.0 110.269 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -59.45 -43.85 93.07 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-N 121.65 2.023 . . . . 0.0 114.504 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.38 -47.4 67.47 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.446 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.7 m -69.06 -50.05 51.94 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.785 175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.04 -41.8 68.47 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 115.313 -2.279 . . . . 0.0 115.245 172.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -69.01 -36.37 77.7 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 121.164 1.802 . . . . 0.0 115.755 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -35.16 75.24 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.12 -52.95 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 125.882 1.673 . . . . 0.0 114.078 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -59.15 -43.11 92.03 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.975 1.31 . . . . 0.0 114.077 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.0 m -66.62 -22.89 66.11 Favored 'General case' 0 CA--C 1.563 1.469 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -88.05 -32.59 18.69 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.471 1.487 . . . . 0.0 113.065 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.305 0.9 OUTLIER -68.81 -44.1 74.23 Favored 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 125.493 1.517 . . . . 0.0 112.922 169.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -33.86 60.45 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 116.504 -1.712 . . . . 0.0 114.671 169.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.5 t -56.19 -26.32 50.37 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 168.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.33 -49.93 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.257 0 CA-C-O 116.328 -1.796 . . . . 0.0 107.462 168.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.96 -42.34 68.82 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 169.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -58.41 -40.25 81.96 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 118.013 2.598 . . . . 0.0 118.013 173.266 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 116.917 -1.516 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.39 -38.43 63.37 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 169.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.61 -30.97 63.84 Favored 'General case' 0 N--CA 1.507 2.416 0 C-N-CA 125.942 1.697 . . . . 0.0 114.885 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.2 -36.04 15.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.094 1.758 . . . . 0.0 109.715 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.13 -43.87 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.515 0 C-N-CA 127.403 2.281 . . . . 0.0 110.514 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -58.07 -41.28 83.03 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.769 1.228 . . . . 0.0 114.092 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -33.34 62.9 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 171.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.5 m -49.5 -41.01 39.67 Favored 'General case' 0 CA--C 1.586 2.33 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -79.46 -41.61 27.16 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.159 -1.877 . . . . 0.0 114.029 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -56.31 -47.14 79.29 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 121.816 2.098 . . . . 0.0 115.574 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.5 m -68.98 -30.17 68.53 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.3 m -73.68 -50.27 21.73 Favored 'General case' 0 CA--C 1.583 2.236 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.428 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.7 -40.53 95.53 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.972 -1.966 . . . . 0.0 115.311 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -66.57 -43.03 86.11 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 116.338 -1.792 . . . . 0.0 115.115 171.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -53.11 -43.68 67.04 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.826 1.648 . . . . 0.0 114.129 169.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -70.31 -29.38 66.09 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.635 -1.174 . . . . 0.0 113.925 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.54 -37.18 85.98 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.34 -45.09 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 125.509 1.523 . . . . 0.0 109.949 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -55.2 -11.0 0.63 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -106.91 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 CA-C-O 115.994 -1.955 . . . . 0.0 106.764 170.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 32.3 mmt -55.0 -38.06 67.39 Favored 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 122.162 2.255 . . . . 0.0 115.793 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -68.27 -32.16 72.12 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 169.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.63 -47.79 62.21 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 125.168 1.387 . . . . 0.0 112.527 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -55.38 -29.3 58.19 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.67 -47.94 68.06 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 117.234 -1.365 . . . . 0.0 114.107 169.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.78 -14.67 63.18 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 168.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.6 m -71.43 -49.58 40.26 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.669 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.25 -42.88 65.12 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 116.555 -1.688 . . . . 0.0 114.286 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.7 m -65.07 -39.8 93.76 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.2 -25.16 66.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 120.612 1.551 . . . . 0.0 115.018 169.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.8 t80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.079 -1.439 . . . . 0.0 113.72 169.458 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 116.447 -1.74 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -64.49 -43.44 94.13 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 115.937 1.828 . . . . 0.0 115.937 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.39 -43.46 50.02 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.6 mmm -72.04 -38.76 69.47 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 116.577 -1.678 . . . . 0.0 112.605 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.58 -39.03 75.83 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 115.843 -2.027 . . . . 0.0 115.121 169.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.9 -40.79 83.42 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 121.599 2.0 . . . . 0.0 114.353 168.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.29 -47.9 80.29 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 170.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -70.95 -43.17 68.71 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 116.369 -1.777 . . . . 0.0 114.809 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.92 -41.1 78.63 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -45.41 -41.52 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 171.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.65 -37.82 87.89 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.56 -27.0 60.32 Favored 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 168.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.29 25.5 mt -63.14 -59.01 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 C-N-CA 126.725 2.01 . . . . 0.0 109.215 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -46.53 -31.33 2.7 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 122.041 2.2 . . . . 0.0 116.818 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.66 33.46 Favored Glycine 0 CA--C 1.552 2.386 0 CA-C-O 117.905 -1.497 . . . . 0.0 115.361 168.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -60.99 -33.57 73.44 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.422 -1.752 . . . . 0.0 115.293 169.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.9 -52.74 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.677 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.852 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -47.59 -41.25 21.24 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 169.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -64.57 -23.64 67.33 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -68.74 -53.51 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.952 0 CA-C-O 115.355 -2.259 . . . . 0.0 109.006 169.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.49 -36.52 82.78 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.013 2.188 . . . . 0.0 116.144 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.77 -44.49 81.23 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 116.706 -1.616 . . . . 0.0 113.056 169.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.88 -42.28 77.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 116.422 -1.751 . . . . 0.0 114.242 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.253 0.9 OUTLIER -63.84 -48.68 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 CA-C-N 120.245 1.384 . . . . 0.0 113.967 179.019 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.14 -33.73 69.49 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.487 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.87 -45.55 85.57 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -50.85 -44.96 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.953 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.261 168.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -60.15 -32.91 71.48 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.66 -35.54 62.82 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 120.074 1.306 . . . . 0.0 113.29 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.82 -40.21 33.5 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -35.53 81.0 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 -174.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -76.27 -48.43 20.22 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 116.449 -1.738 . . . . 0.0 115.17 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 169.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.9 mt . . . . . 0 CA--C 1.581 2.159 0 CA-C-O 116.066 -1.921 . . . . 0.0 108.832 170.602 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 116.892 -1.528 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -55.45 -31.37 61.89 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 169.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.85 -28.92 62.81 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 115.383 -2.246 . . . . 0.0 115.226 169.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.18 -39.87 95.89 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 122.784 2.538 . . . . 0.0 115.343 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.86 -25.99 67.87 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 116.905 -1.522 . . . . 0.0 113.954 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -70.94 -51.52 25.36 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-O 115.035 -2.412 . . . . 0.0 112.633 170.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.75 -36.98 85.1 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.443 2.383 . . . . 0.0 117.306 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.2 mtt -72.13 -43.53 64.55 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 116.956 -1.497 . . . . 0.0 113.306 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -66.12 -20.43 66.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.32 -49.52 22.59 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 117.24 -1.362 . . . . 0.0 114.019 169.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.74 -39.78 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.369 0 CA-C-O 116.444 -1.741 . . . . 0.0 110.085 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -57.64 -52.64 64.59 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 121.041 1.746 . . . . 0.0 113.795 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -69.9 -43.16 72.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 116.63 -1.652 . . . . 0.0 114.624 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.5 m -70.54 -60.39 2.29 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 114.232 -2.794 . . . . 0.0 110.311 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -36.5 45.59 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 123.082 2.674 . . . . 0.0 115.666 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -69.0 -39.71 79.18 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 116.28 -1.819 . . . . 0.0 115.375 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.24 -39.49 69.8 Favored 'General case' 0 CA--C 1.588 2.437 0 CA-C-N 121.446 1.93 . . . . 0.0 114.865 169.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . 0.255 11.7 p -90.41 -53.18 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.323 0 C-N-CA 126.78 2.032 . . . . 0.0 113.509 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.25 16.0 ptt180 -58.28 -46.51 85.92 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 120.621 1.555 . . . . 0.0 112.571 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 t -60.21 -18.99 52.23 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 167.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -73.05 -35.29 66.68 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 124.053 0.941 . . . . 0.0 110.612 168.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.62 -38.11 83.66 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.692 167.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -55.73 -29.26 59.22 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 115.634 -2.127 . . . . 0.0 116.309 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -69.3 -23.58 63.83 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 120.809 1.64 . . . . 0.0 114.662 167.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.7 mm -81.05 -49.7 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 C-N-CA 126.714 2.006 . . . . 0.0 109.695 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.92 -38.59 73.06 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.72 -38.19 72.0 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.504 2.261 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 173.673 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.585 2.298 0 N-CA-C 100.93 -3.73 . . . . 0.0 100.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.76 -37.51 0.3 Allowed 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 128.883 2.873 . . . . 0.0 114.732 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.82 -34.89 78.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 129.048 2.939 . . . . 0.0 113.341 168.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -87.68 -32.23 19.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.208 1.803 . . . . 0.0 110.051 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.254 22.3 mt -57.8 -48.89 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 C-N-CA 127.951 2.5 . . . . 0.0 109.845 167.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.72 -44.8 86.2 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 125.606 1.562 . . . . 0.0 113.971 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.12 -34.35 76.18 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 125.594 1.558 . . . . 0.0 115.061 168.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -62.09 -47.05 86.37 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 124.861 1.264 . . . . 0.0 113.842 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -83.32 -36.41 24.46 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 115.401 -2.237 . . . . 0.0 115.68 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.09 -37.09 76.31 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 122.737 2.517 . . . . 0.0 116.26 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.1 m -70.75 -40.12 72.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 116.025 -1.941 . . . . 0.0 115.919 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.7 m -69.0 -43.06 75.62 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 121.253 1.842 . . . . 0.0 113.027 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.19 -52.39 65.77 Favored 'General case' 0 CA--C 1.581 2.151 0 C-N-CA 125.611 1.564 . . . . 0.0 112.704 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -61.05 -40.54 94.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.254 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -53.51 -43.33 68.2 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 125.646 1.578 . . . . 0.0 113.965 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -60.34 -34.61 74.08 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.554 169.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -69.25 -37.43 77.93 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 116.095 -1.907 . . . . 0.0 115.828 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.69 -37.12 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 121.684 2.038 . . . . 0.0 111.496 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.39 -5.9 2.85 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.4 t -131.77 -43.9 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 114.921 -2.466 . . . . 0.0 111.239 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -46.34 75.41 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 123.627 2.922 . . . . 0.0 114.048 173.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 t -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.512 2.042 . . . . 0.0 116.512 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.98 -47.3 25.53 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.793 1.637 . . . . 0.0 111.963 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -57.08 -30.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -51.52 -38.18 52.88 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 117.51 -1.233 . . . . 0.0 114.147 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.42 76.71 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 91.3 m -73.82 -56.77 4.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.363 1.438 . . . . 0.0 112.018 174.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -59.9 -35.46 74.91 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.2 t -74.89 -47.3 30.73 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 114.739 -2.553 . . . . 0.0 112.392 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.61 -17.23 7.94 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 122.557 2.435 . . . . 0.0 117.106 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 CA--C 1.579 2.073 0 CA-C-N 121.528 1.967 . . . . 0.0 114.412 168.497 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 116.533 -1.698 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -67.3 -44.79 78.37 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.221 1.828 . . . . 0.0 115.218 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.81 -39.75 26.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 116.615 -1.66 . . . . 0.0 114.37 -175.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.2 mtp -67.89 -38.93 83.61 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-O 116.269 -1.824 . . . . 0.0 113.441 169.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.78 -44.46 86.24 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 121.171 1.805 . . . . 0.0 114.332 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.03 -35.24 78.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 120.284 1.402 . . . . 0.0 113.868 169.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.88 -39.76 94.94 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 116.303 -1.808 . . . . 0.0 115.511 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -64.94 -42.7 94.43 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.958 1.708 . . . . 0.0 115.596 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.5 -42.86 82.18 Favored 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 126.499 1.92 . . . . 0.0 116.113 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.8 -34.71 72.03 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.18 -45.61 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.837 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.569 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.45 -24.89 58.36 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.06 -43.94 50.47 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 124.415 1.086 . . . . 0.0 111.515 169.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.262 22.6 mt -57.5 -59.27 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 125.713 1.605 . . . . 0.0 109.769 172.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -44.49 -34.41 2.07 Favored 'General case' 0 N--CA 1.51 2.531 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.78 -50.4 68.11 Favored Glycine 0 CA--C 1.555 2.59 0 CA-C-O 118.509 -1.162 . . . . 0.0 114.203 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.97 -33.96 77.28 Favored 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 116.789 -1.577 . . . . 0.0 114.971 168.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.81 -54.66 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.045 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -37.47 71.88 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 172.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -64.62 -34.91 79.37 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.982 -1.961 . . . . 0.0 115.648 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.31 -60.92 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.127 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.35 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.0 63.89 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 123.224 2.738 . . . . 0.0 118.13 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.77 -47.58 25.3 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.909 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -67.3 -42.8 83.13 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 116.903 -1.523 . . . . 0.0 114.054 174.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.39 -47.25 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 115.872 -2.013 . . . . 0.0 110.322 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.12 -34.89 68.82 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-N 121.473 1.942 . . . . 0.0 114.826 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -69.67 -31.89 70.21 Favored 'General case' 0 CA--C 1.584 2.261 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.158 168.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.69 -53.44 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.114 0 CA-C-O 116.022 -1.942 . . . . 0.0 110.091 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -62.0 -23.02 66.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -77.12 -37.24 54.51 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 120.446 1.475 . . . . 0.0 112.312 168.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -68.13 -56.14 9.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -49.68 -21.92 1.19 Allowed 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 119.011 2.967 . . . . 0.0 119.011 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.2 m -88.01 -48.91 7.4 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 116.484 -1.722 . . . . 0.0 113.614 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.21 65.04 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.256 35.8 mt . . . . . 0 N--CA 1.508 2.441 0 CA-C-O 116.679 -1.629 . . . . 0.0 107.892 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 116.616 -1.659 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.6 -37.13 26.5 Favored 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 121.078 1.763 . . . . 0.0 115.437 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.42 -29.4 59.72 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.814 -2.041 . . . . 0.0 114.919 169.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.61 -41.22 98.33 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-N 121.731 2.06 . . . . 0.0 115.007 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.41 -22.36 63.69 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.589 -1.672 . . . . 0.0 113.655 168.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.29 -57.63 3.77 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.435 -2.222 . . . . 0.0 111.828 170.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.42 -30.0 70.91 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtt -73.81 -55.56 6.07 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 116.578 -1.677 . . . . 0.0 110.674 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -54.15 -30.06 47.78 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 169.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.16 -39.83 78.54 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.625 -1.655 . . . . 0.0 114.739 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.13 -41.51 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 CA-C-O 113.885 -2.959 . . . . 0.0 109.934 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -45.08 92.35 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 125.073 3.578 . . . . 0.0 114.04 169.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -71.41 -43.95 65.82 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 116.725 -1.607 . . . . 0.0 114.669 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.6 m -71.17 -54.74 9.97 Favored 'General case' 0 CA--C 1.576 1.95 0 CA-C-O 114.824 -2.512 . . . . 0.0 111.12 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.24 -40.49 34.16 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-N 122.324 2.329 . . . . 0.0 115.455 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -71.28 -42.85 68.21 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.138 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -55.09 -35.21 64.36 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 169.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.13 -53.01 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 C-N-CA 126.004 1.722 . . . . 0.0 112.993 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -59.9 -45.08 93.66 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-N 120.596 1.544 . . . . 0.0 113.909 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -65.41 -24.22 67.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -81.99 -39.13 24.05 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.54 1.518 . . . . 0.0 112.622 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.352 0.8 OUTLIER -62.91 -48.89 76.98 Favored 'General case' 0 CA--C 1.589 2.456 0 C-N-CA 125.442 1.497 . . . . 0.0 111.719 169.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.264 20.8 tptm -54.41 -35.53 63.0 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.387 -1.446 . . . . 0.0 113.004 167.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -63.39 -20.45 65.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.83 -60.61 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 115.778 -2.058 . . . . 0.0 107.491 168.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.76 0.5 23.42 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -82.81 -25.23 32.9 Favored 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 164.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 CA--C 1.567 1.62 0 N-CA-C 120.784 3.624 . . . . 0.0 120.784 -178.443 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -38.31 90.57 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.46 -29.78 70.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.215 1.406 . . . . 0.0 114.186 169.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -90.01 -38.31 13.71 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.632 1.573 . . . . 0.0 110.065 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.269 49.7 mt -51.18 -47.84 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 C-N-CA 127.645 2.378 . . . . 0.0 110.406 167.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -58.25 -42.76 87.12 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 125.289 1.435 . . . . 0.0 114.684 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.42 -30.64 71.05 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.6 m -63.56 -46.54 85.45 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.249 1.42 . . . . 0.0 113.652 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -71.83 -40.78 68.86 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 116.534 -1.698 . . . . 0.0 114.004 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -60.67 -47.9 84.19 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 120.712 1.596 . . . . 0.0 115.135 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.1 t -69.92 -34.1 73.04 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -73.76 -46.37 46.06 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.829 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.22 -43.72 87.86 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 120.69 1.586 . . . . 0.0 114.357 169.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.2 t -63.38 -28.38 69.95 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -67.65 -40.95 84.53 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 124.96 1.304 . . . . 0.0 114.021 169.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -72.9 -34.05 66.4 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.06 1.3 . . . . 0.0 112.255 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.74 -42.47 93.26 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.69 -44.12 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.043 0 CA-C-O 117.127 -1.416 . . . . 0.0 114.216 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.54 -35.18 53.01 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.04 1.866 . . . . 0.0 116.04 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.7 p -90.43 -54.98 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.126 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.184 174.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.6 tpp -60.86 -42.27 97.52 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 121.292 1.86 . . . . 0.0 114.397 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.0 m -65.71 -27.8 68.6 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 168.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.49 -45.25 55.12 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.332 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.67 -35.2 72.2 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 169.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -54.15 -41.32 68.31 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.888 1.675 . . . . 0.0 115.256 169.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.4 -30.23 19.65 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.429 -2.224 . . . . 0.0 116.241 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.9 m -57.78 -42.3 83.83 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 122.296 2.317 . . . . 0.0 114.572 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.5 -51.09 21.52 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.217 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 m -69.33 -36.1 76.59 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.85 -29.95 68.37 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 115.098 -2.382 . . . . 0.0 113.012 168.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.589 2.445 0 CA-C-N 121.529 1.968 . . . . 0.0 115.269 169.457 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -70.43 -36.05 73.75 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -59.49 -42.74 92.8 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.53 -42.29 78.69 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 116.426 -1.749 . . . . 0.0 112.679 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.28 -39.3 63.83 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 121.039 1.745 . . . . 0.0 114.711 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.62 -38.46 89.49 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.781 -1.58 . . . . 0.0 113.289 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.67 -45.07 95.58 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.455 -1.736 . . . . 0.0 115.217 169.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.33 -37.99 89.44 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 7.5 mt-10 -68.72 -43.97 74.86 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.524 1.93 . . . . 0.0 115.483 173.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -73.07 -24.88 60.73 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.75 -50.06 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 CA-C-N 120.946 1.703 . . . . 0.0 113.609 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.7 -30.26 63.27 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.68 -48.41 69.38 Favored 'General case' 0 CA--C 1.577 1.996 0 CA-C-O 117.237 -1.363 . . . . 0.0 112.626 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.266 18.0 mt -54.86 -62.89 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.571 0 C-N-CA 125.06 1.344 . . . . 0.0 108.858 169.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -45.24 -37.21 4.46 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.76 -50.24 69.83 Favored Glycine 0 CA--C 1.556 2.616 0 C-N-CA 124.422 1.01 . . . . 0.0 114.733 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -64.09 -35.84 82.06 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 116.823 -1.56 . . . . 0.0 114.817 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.83 -46.27 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.666 0 CA-C-N 120.712 1.597 . . . . 0.0 110.802 170.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.32 -43.09 92.73 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 169.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -68.15 -22.81 64.84 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -76.16 -66.21 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-O 115.352 -2.261 . . . . 0.0 106.287 169.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.21 17.76 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.56 -43.25 39.77 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.845 -1.55 . . . . 0.0 112.199 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -68.81 -46.44 68.64 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 116.571 -1.68 . . . . 0.0 113.503 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.91 -45.93 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 126.148 1.779 . . . . 0.0 110.846 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.52 -33.34 67.96 Favored 'General case' 0 N--CA 1.508 2.427 0 CA-C-N 120.466 1.485 . . . . 0.0 113.835 168.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -35.11 76.35 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 168.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.01 -49.47 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.04 0 C-N-CA 125.899 1.68 . . . . 0.0 111.593 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.36 -22.88 66.86 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -78.97 -38.54 36.65 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.35 1.432 . . . . 0.0 112.209 168.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -75.13 -46.03 37.1 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.619 1.567 . . . . 0.0 114.308 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -64.07 -27.13 68.89 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.3 m -90.47 -39.62 12.5 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 116.215 -1.85 . . . . 0.0 114.001 169.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.29 -30.24 68.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.276 25.8 mt . . . . . 0 N--CA 1.51 2.573 0 CA-C-O 116.183 -1.865 . . . . 0.0 107.675 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.185 0 CA-C-O 115.484 -2.198 . . . . 0.0 115.773 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.93 -32.28 73.92 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 121.906 2.139 . . . . 0.0 112.752 168.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.01 -33.95 50.93 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 114.434 -2.698 . . . . 0.0 114.674 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.59 -37.8 79.48 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 123.881 3.037 . . . . 0.0 115.446 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.65 -26.49 66.24 Favored 'General case' 0 N--CA 1.505 2.288 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.829 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -73.92 -52.62 12.32 Favored 'General case' 0 CA--C 1.573 1.845 0 CA-C-O 115.712 -2.089 . . . . 0.0 112.667 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.18 -33.6 76.13 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -72.51 -42.2 65.07 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.706 1.594 . . . . 0.0 112.709 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.6 p -62.19 -31.35 71.85 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 168.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.36 -47.63 69.84 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.548 1.539 . . . . 0.0 114.428 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.71 -41.66 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.272 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.063 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -56.28 -53.38 57.88 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 120.819 1.645 . . . . 0.0 113.793 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.85 -42.27 73.79 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.925 -1.512 . . . . 0.0 114.975 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 46.3 m -73.22 -62.77 1.35 Allowed 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 114.545 -2.645 . . . . 0.0 109.36 173.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.35 -30.25 18.05 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 124.371 3.259 . . . . 0.0 117.465 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -71.4 -46.1 61.09 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.364 168.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -55.84 -36.73 67.85 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 168.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' THR . 38.3 t -82.67 -51.35 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 127.098 2.159 . . . . 0.0 108.808 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -53.33 -40.54 64.92 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m -63.27 -34.4 77.6 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 171.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -73.67 -28.62 61.85 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 120.79 1.632 . . . . 0.0 113.823 169.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -44.99 90.15 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 169.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -61.17 -38.17 85.53 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -58.47 -25.21 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 169.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mm -78.35 -51.08 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-O 116.314 -1.803 . . . . 0.0 109.522 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -61.35 -30.9 70.81 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -61.23 -43.25 99.18 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 116.585 -1.674 . . . . 0.0 115.137 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 176.253 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 124.603 2.144 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -166.62 -57.75 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 110.681 -2.963 . . . . 0.0 107.831 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -9.87 59.1 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 169.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -90.81 -43.9 9.77 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.865 2.066 . . . . 0.0 109.447 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.256 17.9 mt -55.35 -49.4 73.09 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.518 0 C-N-CA 127.384 2.274 . . . . 0.0 110.667 168.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -59.6 -41.04 89.44 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.95 -33.22 75.24 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 168.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.2 m -61.57 -50.08 74.08 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 125.242 1.417 . . . . 0.0 113.437 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -76.47 -37.52 56.76 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 116.353 -1.784 . . . . 0.0 115.002 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.03 -45.62 91.45 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 121.09 1.768 . . . . 0.0 115.689 171.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -68.98 -33.41 73.64 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.0 m -76.44 -45.29 32.02 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 116.846 -1.549 . . . . 0.0 112.216 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.64 -40.61 92.62 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-O 116.533 -1.699 . . . . 0.0 114.972 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.0 p -68.2 -23.34 64.82 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -69.59 -46.84 65.39 Favored 'General case' 0 CA--C 1.575 1.942 0 C-N-CA 125.167 1.387 . . . . 0.0 113.018 169.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.93 -31.0 70.44 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 120.395 1.452 . . . . 0.0 113.072 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.37 -46.5 86.21 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.864 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.13 -43.84 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.365 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.21 -32.37 69.88 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -88.96 -53.23 9.83 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.263 0 CA-C-O 115.122 -2.371 . . . . 0.0 108.716 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.8 tpp -64.79 -45.59 85.66 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 122.942 2.61 . . . . 0.0 114.18 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.4 m -62.79 -26.54 68.77 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -79.41 -46.04 18.34 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 117.094 -1.432 . . . . 0.0 112.377 169.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.56 -32.62 69.08 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 169.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.74 -41.47 73.95 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 120.09 1.313 . . . . 0.0 113.852 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.16 -21.85 45.88 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.9 m -60.84 -23.85 65.42 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.85 -49.96 26.91 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 120.731 1.605 . . . . 0.0 113.391 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 t -75.27 -34.32 61.35 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.97 -8.65 54.7 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 115.828 -2.035 . . . . 0.0 113.214 167.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.494 1.769 0 CA-C-N 121.448 1.931 . . . . 0.0 113.311 167.184 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 102.114 -3.291 . . . . 0.0 102.114 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -57.0 -38.47 73.12 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.16 -41.39 18.54 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.638 -1.649 . . . . 0.0 113.924 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mtp -67.11 -36.66 82.41 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 116.313 -1.803 . . . . 0.0 113.631 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -61.29 -45.09 95.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 120.882 1.674 . . . . 0.0 114.662 169.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.23 -38.97 81.3 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 120.862 1.665 . . . . 0.0 113.966 169.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.53 -46.52 86.62 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -68.61 -41.35 79.66 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 116.252 -1.833 . . . . 0.0 115.602 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -66.69 -37.86 85.59 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -66.08 -40.66 91.0 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.98 -50.31 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.722 0 CA-C-O 116.813 -1.565 . . . . 0.0 112.585 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -28.04 64.63 Favored 'General case' 0 N--CA 1.509 2.487 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.7 -42.89 49.72 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.478 1.111 . . . . 0.0 111.699 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.254 26.6 mm -54.03 -58.19 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.434 0 C-N-CA 126.727 2.011 . . . . 0.0 110.455 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -46.39 -33.93 4.26 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.18 -50.82 59.86 Favored Glycine 0 CA--C 1.556 2.631 0 CA-C-O 118.73 -1.039 . . . . 0.0 114.442 168.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.64 -36.69 76.88 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 168.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.23 -49.36 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.697 0 C-N-CA 126.105 1.762 . . . . 0.0 110.37 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.82 -42.54 79.76 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -63.55 -21.6 66.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 169.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.52 -63.72 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.224 0 CA-C-O 115.639 -2.124 . . . . 0.0 106.773 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.32 -24.05 6.89 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 119.08 2.993 . . . . 0.0 119.08 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.3 -46.23 42.47 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 116.737 -1.601 . . . . 0.0 112.257 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -69.29 -45.57 69.29 Favored 'General case' 0 CA--C 1.568 1.649 0 CA-C-N 120.837 1.653 . . . . 0.0 113.904 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.09 -46.46 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 125.896 1.678 . . . . 0.0 111.025 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.98 -37.62 77.25 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 116.523 -1.703 . . . . 0.0 114.437 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.82 -35.63 80.51 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.39 1.45 . . . . 0.0 114.627 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.2 t -54.4 -51.01 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.988 0 CA-C-O 117.081 -1.437 . . . . 0.0 110.205 169.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.69 -24.42 67.63 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -77.67 -38.56 47.36 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.212 1.369 . . . . 0.0 112.158 168.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -76.82 -47.94 19.98 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -30.7 68.69 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 118.756 2.873 . . . . 0.0 118.756 -172.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.6 m -90.12 -15.38 31.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.18 -17.62 27.25 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.271 -1.347 . . . . 0.0 114.33 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 CA--C 1.575 1.906 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.419 -169.554 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.87 -35.8 66.89 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.55 -29.59 64.91 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 116.49 -1.719 . . . . 0.0 115.278 169.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.1 mt -62.55 -35.69 80.25 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 121.205 1.821 . . . . 0.0 114.907 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.97 -21.47 66.5 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 168.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.07 -52.44 8.75 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 114.87 -2.49 . . . . 0.0 112.205 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.46 -35.84 82.25 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 123.428 2.831 . . . . 0.0 117.341 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.2 mtt -70.42 -43.06 70.74 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.127 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -66.74 -27.8 67.91 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 168.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.83 -43.6 75.19 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 171.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.47 -37.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-O 117.073 -1.442 . . . . 0.0 109.986 173.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.39 -49.01 75.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.785 1.634 . . . . 0.0 114.924 169.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -68.82 -46.6 68.19 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 117.296 -1.335 . . . . 0.0 114.234 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -70.83 -58.51 3.55 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 114.826 -2.512 . . . . 0.0 110.189 172.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.04 -35.17 46.28 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 123.458 2.845 . . . . 0.0 115.618 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -69.97 -41.4 74.5 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 122.288 2.313 . . . . 0.0 113.469 169.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -55.82 -36.49 67.53 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -89.72 -55.78 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.934 1.694 . . . . 0.0 110.065 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.263 20.5 ptt180 -59.21 -45.08 92.05 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.303 1.441 . . . . 0.0 113.225 -172.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -62.56 -19.57 63.81 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 168.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.89 -46.88 12.44 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.649 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.34 -21.37 63.83 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 120.993 1.724 . . . . 0.0 113.44 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.255 15.6 tppt? -59.23 -32.1 69.66 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-O 116.266 -1.826 . . . . 0.0 114.07 168.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -62.67 -24.79 67.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.96 -49.78 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 C-N-CA 126.135 1.774 . . . . 0.0 109.177 170.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.97 -27.43 68.27 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -61.42 -34.51 75.52 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 170.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.982 172.053 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.295 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.76 -41.11 98.05 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 116.492 -1.718 . . . . 0.0 114.37 169.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.02 -28.51 67.79 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -86.88 -37.43 17.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.062 1.745 . . . . 0.0 109.811 -169.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.251 52.2 mt -51.9 -38.84 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.978 0 C-N-CA 127.799 2.439 . . . . 0.0 110.602 166.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -47.34 81.66 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 127.144 2.178 . . . . 0.0 112.498 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -62.54 -33.24 74.52 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.306 1.442 . . . . 0.0 113.814 168.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -63.83 -44.5 93.01 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 124.677 1.191 . . . . 0.0 113.713 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.91 -44.94 45.95 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 115.833 -2.032 . . . . 0.0 113.625 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.0 -41.8 97.21 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 121.909 2.14 . . . . 0.0 115.888 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -66.86 -35.5 80.16 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 m -73.93 -46.65 42.91 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 120.036 1.289 . . . . 0.0 112.001 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.58 -46.06 73.66 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.16 1.784 . . . . 0.0 113.618 169.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.8 m -69.1 -29.63 67.76 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 169.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -61.74 -48.05 82.47 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.462 -1.733 . . . . 0.0 113.58 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -71.56 -24.27 61.9 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.359 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -39.07 77.6 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 169.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.18 -44.56 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 C-N-CA 125.202 1.401 . . . . 0.0 109.4 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -56.07 -8.9 0.52 Allowed 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.29 -55.25 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.153 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.9 mmm -65.41 -41.68 93.37 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 122.405 2.366 . . . . 0.0 114.199 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 61.4 m -61.87 -26.72 68.31 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 121.004 1.729 . . . . 0.0 115.446 168.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.31 -44.83 43.38 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-O 117.109 -1.424 . . . . 0.0 111.47 168.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -57.8 -29.38 64.85 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.05 -47.95 75.53 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 117.242 -1.361 . . . . 0.0 114.235 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.81 62.15 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 m -71.58 -49.14 43.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 117.117 -1.421 . . . . 0.0 112.602 171.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.1 -48.84 72.24 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.5 m -64.79 -35.68 81.88 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 171.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.48 -15.76 62.84 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.218 -2.325 . . . . 0.0 115.422 169.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.499 2.014 0 CA-C-N 122.178 2.263 . . . . 0.0 113.804 169.402 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -63.27 -41.6 99.04 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -75.0 -43.84 51.58 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.5 mmm -71.61 -34.87 70.23 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.649 -1.644 . . . . 0.0 113.098 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -58.05 -42.52 85.59 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 116.012 -1.947 . . . . 0.0 114.24 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -39.79 91.32 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 121.273 1.852 . . . . 0.0 114.564 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.94 -43.84 70.15 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 169.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -70.4 -39.82 74.26 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.34 -42.71 99.14 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.78 -27.39 66.71 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.59 -47.0 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.567 0 CA-C-O 116.36 -1.781 . . . . 0.0 111.192 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.98 -28.8 40.02 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.56 -45.16 19.75 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 116.928 -1.51 . . . . 0.0 112.127 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.251 21.1 mm -57.3 -37.55 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-O 114.809 -2.52 . . . . 0.0 112.537 174.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -56.65 -28.99 61.78 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-N 122.736 2.516 . . . . 0.0 114.101 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.35 -47.08 65.43 Favored Glycine 0 CA--C 1.558 2.765 0 CA-C-O 117.619 -1.656 . . . . 0.0 112.767 167.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -58.06 -35.56 71.52 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.59 -54.0 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.539 1.536 . . . . 0.0 109.756 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -38.94 72.97 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -63.01 -27.61 69.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -78.98 -59.91 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.054 0 CA-C-O 115.389 -2.243 . . . . 0.0 106.705 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.15 -26.19 10.78 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 118.895 2.924 . . . . 0.0 118.895 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.2 -47.01 21.38 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 120.059 1.299 . . . . 0.0 113.018 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.57 -37.6 84.46 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.98 -47.42 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 CA-C-O 116.184 -1.865 . . . . 0.0 110.902 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -54.36 -31.36 54.41 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.77 -48.38 54.65 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -50.19 -41.67 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.213 0 C-N-CA 125.042 1.337 . . . . 0.0 111.857 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.7 -31.62 72.85 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 115.476 -2.202 . . . . 0.0 115.569 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -75.3 -35.24 61.3 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-N 121.791 2.087 . . . . 0.0 113.243 168.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -69.56 -45.89 67.69 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.092 1.757 . . . . 0.0 115.401 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -69.89 -14.36 62.7 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 118.931 2.937 . . . . 0.0 118.931 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.2 t -90.1 -23.31 21.42 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.07 -30.95 17.37 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.932 169.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.473 HD13 ' OG1' ' A' ' 71' ' ' THR . 12.8 mt -100.85 -38.73 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.15 0 CA-C-O 114.178 -2.82 . . . . 0.0 114.029 -167.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -31.32 0.08 Allowed 'General case' 0 N--CA 1.519 2.994 0 CA-C-N 124.262 3.21 . . . . 0.0 117.315 170.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . 0.329 . . -126.79 23.11 6.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.887 2.475 . . . . 0.0 116.557 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.8 p -24.6 77.23 0.01 OUTLIER Pre-proline 0 CA--C 1.575 1.916 0 N-CA-C 119.16 3.022 . . . . 0.0 119.16 -163.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.13 -16.13 12.53 Favored 'Trans proline' 0 C--N 1.399 3.214 0 C-N-CA 123.215 2.61 . . . . 0.0 113.429 169.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -155.3 -21.52 0.0 OUTLIER Pre-proline 0 CA--C 1.594 2.655 1 CA-C-O 110.678 -4.486 . . . . 0.0 117.267 -169.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -61.6 -92.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.396 3.071 1 CA-C-N 131.861 5.272 . . . . 0.0 117.583 -168.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -140.0 179.12 6.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.778 1.631 . . . . 0.0 108.17 -168.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.53 -96.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 167.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.419 14.4 mmtt -94.12 93.14 7.64 Favored 'General case' 0 CA--C 1.571 1.785 1 CA-C-O 132.676 5.989 . . . . 0.0 105.709 168.543 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.473 ' OG1' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -78.16 -33.96 50.0 Favored 'General case' 0 CA--C 1.583 2.248 2 CA-C-N 101.204 -7.271 . . . . 0.0 94.958 163.436 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -61.16 -23.22 65.39 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 112.346 -2.207 . . . . 0.0 114.453 167.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -43.91 -40.62 4.7 Favored 'General case' 0 CA--C 1.587 2.383 0 CA-C-N 122.664 2.484 . . . . 0.0 114.973 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.33 -23.6 21.09 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 115.706 -2.092 . . . . 0.0 116.001 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.37 -38.76 92.41 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 122.806 2.548 . . . . 0.0 115.714 -172.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.69 -21.65 63.08 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.99 -59.69 2.68 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.787 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 pp -62.68 -37.24 85.68 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 123.057 2.662 . . . . 0.0 117.609 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.9 mtt -72.98 -43.04 62.68 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.29 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -68.07 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 168.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.74 -45.81 73.91 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.49 -42.99 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.585 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -52.12 -42.42 63.28 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 121.863 2.119 . . . . 0.0 115.637 170.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -69.27 -50.2 49.07 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.342 1.428 . . . . 0.0 114.463 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -66.56 -49.33 66.78 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 115.721 -2.085 . . . . 0.0 112.477 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.17 -42.97 41.59 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -69.86 -37.19 76.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 169.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -59.79 -46.94 87.64 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.3 -52.77 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 C-N-CA 125.744 1.618 . . . . 0.0 113.381 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -51.97 -38.33 56.19 Favored 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.5 m -70.25 -24.33 63.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 169.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -79.9 -26.05 40.37 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 122.073 2.215 . . . . 0.0 112.392 169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.287 84.2 mt -70.98 -43.75 67.39 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.364 2.266 . . . . 0.0 113.481 169.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -60.66 -46.42 90.38 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 115.391 -2.243 . . . . 0.0 112.164 168.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.1 p -51.88 -27.95 14.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm -76.59 -48.7 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 CA-C-O 115.85 -2.024 . . . . 0.0 109.937 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -62.42 -41.55 98.78 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 121.364 1.893 . . . . 0.0 114.75 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -59.79 -42.43 93.35 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 126.605 1.962 . . . . 0.0 114.442 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 t -71.01 -27.3 63.59 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 mt -71.42 -61.4 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 116.473 -1.727 . . . . 0.0 107.661 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.0 -24.1 3.45 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -83.66 -35.91 24.21 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 115.994 -1.955 . . . . 0.0 113.191 172.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.84 -4.11 57.76 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 121.147 1.794 . . . . 0.0 115.776 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.334 5.1 tt0 -77.35 -62.93 1.5 Allowed 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 126.932 2.093 . . . . 0.0 111.137 169.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -44.54 -24.05 0.61 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 120.467 2.947 . . . . 0.0 120.467 169.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.03 -12.53 4.83 Favored 'General case' 0 N--CA 1.506 2.352 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 168.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.0 m120 71.52 83.23 0.14 Allowed 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 129.338 3.055 . . . . 0.0 109.462 -169.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -146.49 146.68 30.62 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 124.892 1.277 . . . . 0.0 108.323 -173.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.5 t -146.31 105.39 3.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 171.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.6 t -143.04 153.15 42.66 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.503 1.121 . . . . 0.0 110.446 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.23 -31.73 70.5 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.65 -40.49 87.86 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 169.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.55 -33.66 68.35 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.699 1.6 . . . . 0.0 115.276 169.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -90.64 -36.83 14.16 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.504 1.522 . . . . 0.0 109.56 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.26 -37.25 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.863 0 C-N-CA 126.591 1.956 . . . . 0.0 109.873 166.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -65.66 -45.63 82.19 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 125.415 1.486 . . . . 0.0 112.566 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -65.43 -30.0 70.75 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.3 m -61.53 -48.21 82.06 Favored 'General case' 0 CA--C 1.58 2.102 0 CA-C-N 120.026 1.285 . . . . 0.0 113.778 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -70.93 -37.71 72.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 116.613 -1.661 . . . . 0.0 114.482 170.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.4 -46.07 91.33 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.9 p -65.04 -28.18 69.31 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.7 m -77.86 -45.06 25.35 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.232 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.66 -46.42 88.26 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -72.49 -30.62 64.68 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 128' ' ' VAL . 27.8 tpt180 -68.48 -41.85 79.54 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.938 -1.506 . . . . 0.0 114.45 170.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -70.19 -37.05 75.02 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 120.943 1.702 . . . . 0.0 113.416 169.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.01 -37.51 87.7 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 116.07 -1.919 . . . . 0.0 115.414 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 125' ' ' ARG . 2.1 p -70.18 -43.06 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-N 121.06 1.755 . . . . 0.0 113.807 174.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 -32.9 35.49 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.54 -52.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 115.631 -2.128 . . . . 0.0 112.259 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.1 tpp -64.14 -43.7 94.44 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.122 2.237 . . . . 0.0 114.406 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.4 t -64.31 -27.49 69.06 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 168.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -42.09 63.89 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-O 117.218 -1.372 . . . . 0.0 112.367 168.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -35.65 78.46 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.75 -41.41 81.88 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.388 -1.291 . . . . 0.0 113.747 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.12 -22.37 59.49 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 168.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 18.0 m -66.78 -46.02 76.63 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.808 -1.568 . . . . 0.0 113.856 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.66 -44.91 84.87 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 116.714 -1.612 . . . . 0.0 114.255 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.0 m -66.96 -39.32 87.22 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 115.754 -2.069 . . . . 0.0 115.204 169.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -62.81 -17.88 61.92 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.455 1.934 . . . . 0.0 116.112 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.92 -31.04 70.53 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.454 ' HA ' ' OG ' ' A' ' 145' ' ' SER . 5.3 ptm180 -138.44 1.95 2.21 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 -168.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.04 -53.25 8.63 Favored 'General case' 0 N--CA 1.51 2.526 0 C-N-CA 124.17 0.988 . . . . 0.0 108.981 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.469 ' HG3' ' H ' ' A' ' 146' ' ' LYS . 28.8 ptt-85 -85.64 -52.35 5.86 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 116.805 -1.569 . . . . 0.0 108.696 167.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 142' ' ' ARG . 0.4 OUTLIER 43.07 33.82 0.58 Allowed 'General case' 0 N--CA 1.524 3.245 0 CA-C-O 126.501 3.048 . . . . 0.0 110.559 -165.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.469 ' H ' ' HG3' ' A' ' 144' ' ' ARG . 61.3 pttt . . . . . 0 N--CA 1.491 1.597 1 CA-C-N 106.881 -4.691 . . . . 0.0 117.824 -165.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.566 1.562 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.49 -43.91 92.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 121.451 1.932 . . . . 0.0 115.438 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -78.28 -42.86 29.69 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.1 mmt -69.88 -36.61 75.6 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 116.279 -1.82 . . . . 0.0 114.377 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -63.19 -42.27 99.32 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 115.7 -2.095 . . . . 0.0 115.006 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.51 -43.53 85.02 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-N 122.047 2.203 . . . . 0.0 114.569 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.34 -42.68 99.08 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.925 -1.988 . . . . 0.0 116.149 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -71.52 -34.18 69.86 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-N 121.403 1.911 . . . . 0.0 115.623 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.309 1.3 pt-20 -68.76 -44.89 72.78 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 174.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.29 -39.76 92.96 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 m -53.04 -45.96 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.884 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.1 -30.51 62.17 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 170.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.83 -41.74 67.82 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.426 1.09 . . . . 0.0 112.044 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.67 -49.11 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.473 0 CA-C-O 116.533 -1.699 . . . . 0.0 111.11 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.22 -29.79 70.04 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.57 50.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 116.188 1.235 . . . . 0.0 116.188 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -61.07 -40.91 95.48 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 169.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.4 -38.69 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.8 0 CA-C-O 116.567 -1.683 . . . . 0.0 110.594 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.51 -43.66 98.26 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 116.462 -1.733 . . . . 0.0 114.83 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.19 -37.28 86.63 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 121.157 1.799 . . . . 0.0 113.8 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -70.19 -60.84 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.232 0 CA-C-O 115.158 -2.353 . . . . 0.0 106.186 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.52 -22.3 43.45 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.34 -46.59 26.88 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 116.908 -1.52 . . . . 0.0 111.78 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -67.79 -47.1 70.07 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 120.842 1.656 . . . . 0.0 113.544 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.63 -46.22 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 0 C-N-CA 127.131 2.172 . . . . 0.0 111.243 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.11 -36.23 74.8 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.857 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.53 -40.81 80.6 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 120.389 1.449 . . . . 0.0 114.054 169.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 t -51.56 -42.74 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 CA-C-N 120.642 1.564 . . . . 0.0 110.859 169.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -59.56 -36.38 76.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.12 -34.75 68.81 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 119.605 1.093 . . . . 0.0 113.491 169.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.66 -46.48 53.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -36.81 78.57 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -74.62 -45.35 45.55 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.336 -1.792 . . . . 0.0 115.203 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.75 68.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.978 2.214 . . . . 0.0 116.978 169.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.2 mt -86.54 -29.24 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.205 169.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -22.88 65.22 Favored 'General case' 0 N--CA 1.51 2.544 0 CA-C-N 123.536 2.88 . . . . 0.0 112.225 166.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -60.98 1.97 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 116.979 -1.486 . . . . 0.0 110.282 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -92.51 88.53 0.32 Allowed Pre-proline 0 CA--C 1.569 1.691 0 CA-C-O 116.729 -1.605 . . . . 0.0 107.193 168.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.07 -17.73 53.79 Favored 'Trans proline' 0 C--N 1.389 2.678 0 C-N-CA 124.292 3.328 . . . . 0.0 114.51 169.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -124.65 81.7 60.34 Favored Pre-proline 0 CA--C 1.592 2.563 0 N-CA-C 103.622 -2.733 . . . . 0.0 103.622 167.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -78.04 -79.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.394 2.931 0 C-N-CA 124.284 3.323 . . . . 0.0 110.879 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -148.28 158.19 43.94 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 127.028 2.131 . . . . 0.0 108.705 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.62 -25.81 60.65 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -56.47 -38.34 71.55 Favored 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -72.76 -54.2 9.53 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.013 -170.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -80.03 -44.15 20.64 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-N 119.622 1.101 . . . . 0.0 112.121 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -40.2 -38.57 0.79 Allowed 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 127.063 2.145 . . . . 0.0 116.543 168.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -82.94 -27.34 30.64 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-O 115.612 -2.137 . . . . 0.0 115.14 169.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.66 -33.72 70.42 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 122.495 2.407 . . . . 0.0 116.562 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.31 -28.35 67.09 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-O 116.225 -1.845 . . . . 0.0 113.561 168.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.88 -53.86 13.57 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.83 -2.034 . . . . 0.0 112.251 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.64 -29.94 70.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.3 mtt -75.09 -47.27 29.56 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.894 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -63.22 -19.72 64.78 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 168.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.84 -48.2 22.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.26 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.3 -39.06 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.449 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.71 -47.57 76.62 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-O 116.239 -1.839 . . . . 0.0 114.583 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 120.947 1.703 . . . . 0.0 114.792 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 89' ' ' VAL . 89.3 m -73.57 -61.99 1.64 Allowed 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 114.943 -2.456 . . . . 0.0 109.568 172.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.21 -31.65 8.96 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 123.782 2.992 . . . . 0.0 117.656 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.17 -47.75 48.47 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 117.522 -1.228 . . . . 0.0 112.459 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -54.72 -31.95 58.97 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 85' ' ' THR . 98.1 t -86.79 -54.87 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 127.283 2.233 . . . . 0.0 108.083 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.67 -41.71 67.16 Favored 'General case' 0 N--CA 1.511 2.615 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 m -60.79 -30.12 69.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -75.87 -37.01 59.34 Favored 'General case' 0 N--CA 1.5 2.034 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.605 169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.22 -42.66 99.3 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -58.66 -37.22 75.51 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 170.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.8 m -64.0 -25.38 68.1 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 171.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.1 mp -76.49 -51.59 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 CA-C-O 116.205 -1.855 . . . . 0.0 108.59 169.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.47 -42.8 95.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 169.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 t -71.77 -23.4 61.58 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 174.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.2 mt -78.06 -62.64 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.49 -1.719 . . . . 0.0 107.318 172.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -46.13 -35.6 5.15 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 121.84 2.109 . . . . 0.0 116.403 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -22.07 20.85 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 117.358 2.355 . . . . 0.0 117.358 172.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.77 66.94 1.53 Allowed 'General case' 0 CA--C 1.572 1.821 0 CA-C-O 124.223 1.963 . . . . 0.0 107.323 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' HG3' ' H ' ' A' ' 107' ' ' ASN . 8.2 pt-20 -73.37 -6.26 45.01 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 112.274 -2.239 . . . . 0.0 116.507 168.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.03 16.8 58.88 Favored Glycine 0 CA--C 1.557 2.713 2 CA-C-N 106.35 -4.932 . . . . 0.0 107.559 -167.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.75 59.35 1.79 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 128.204 2.602 . . . . 0.0 112.306 169.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.572 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 7.1 t30 78.03 78.53 0.07 Allowed 'General case' 0 N--CA 1.502 2.155 0 CA-C-N 109.138 -3.664 . . . . 0.0 109.62 -169.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -143.24 165.33 27.74 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.364 1.465 . . . . 0.0 112.118 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 t -152.71 121.16 6.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.192 1.397 . . . . 0.0 107.742 170.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.8 m -149.97 146.49 27.05 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.617 1.167 . . . . 0.0 108.906 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.9 95.7 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 -171.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -36.46 82.03 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 169.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.77 -30.44 71.45 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 125.772 1.629 . . . . 0.0 114.873 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -90.95 -33.39 15.6 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.496 1.518 . . . . 0.0 111.825 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 mt -53.0 -47.17 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.511 0 C-N-CA 126.719 2.007 . . . . 0.0 111.092 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -56.41 -44.08 79.98 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 124.897 1.279 . . . . 0.0 114.193 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -62.67 -37.6 87.07 Favored 'General case' 0 CA--C 1.569 1.697 0 C-N-CA 125.788 1.635 . . . . 0.0 115.106 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.6 m -63.55 -45.46 90.4 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.236 1.414 . . . . 0.0 113.934 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.68 -38.45 73.73 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.917 -1.992 . . . . 0.0 114.745 173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -63.54 -35.91 82.03 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.448 1.931 . . . . 0.0 115.861 172.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -66.95 -39.87 87.38 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -68.81 -44.72 72.94 Favored 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 120.121 1.328 . . . . 0.0 112.908 169.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 -43.51 83.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 125.548 1.539 . . . . 0.0 114.055 169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -69.49 -28.69 66.28 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -67.21 -37.93 84.46 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -39.27 55.3 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.789 1.632 . . . . 0.0 113.393 169.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -60.55 -35.96 77.31 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 116.032 -1.937 . . . . 0.0 114.874 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.43 -44.82 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-N 121.139 1.79 . . . . 0.0 114.229 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.27 -31.03 30.74 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -98.68 -50.06 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.086 0 CA-C-O 115.828 -2.034 . . . . 0.0 112.855 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.9 -45.61 88.58 Favored 'General case' 0 N--CA 1.505 2.292 0 CA-C-N 121.886 2.13 . . . . 0.0 113.825 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.4 t -64.9 -28.92 69.87 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.27 -44.68 67.94 Favored 'General case' 0 CA--C 1.577 1.996 0 C-N-CA 125.171 1.389 . . . . 0.0 112.184 168.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -60.12 -36.25 77.05 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 169.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.31 -43.21 92.66 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-O 117.211 -1.376 . . . . 0.0 114.22 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.31 60.9 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 169.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.7 m -67.73 -46.68 71.45 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.724 -1.608 . . . . 0.0 113.57 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -66.02 -46.3 78.41 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.336 -1.792 . . . . 0.0 113.849 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 50.5 m -63.38 -31.2 72.29 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 169.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.31 -27.59 67.28 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.363 -1.779 . . . . 0.0 115.297 169.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -79.51 7.03 8.91 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 170.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -152.94 3.22 0.32 Allowed 'General case' 0 N--CA 1.52 3.051 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -91.25 -72.8 0.56 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 103.274 -2.861 . . . . 0.0 103.274 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -118.28 91.26 3.52 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.5 t -89.98 -25.13 21.04 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 100.748 -3.797 . . . . 0.0 100.748 163.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.366 1.299 0 CA-C-N 111.791 -2.459 . . . . 0.0 109.347 168.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.55 -37.94 80.37 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -79.39 -45.79 18.85 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.908 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 mmt -70.43 -37.17 74.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.185 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.08 -40.41 89.45 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 120.553 1.524 . . . . 0.0 113.618 168.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -36.88 85.08 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.184 1.356 . . . . 0.0 114.346 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -60.06 -49.21 78.53 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-O 116.466 -1.73 . . . . 0.0 114.93 169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.76 -34.34 76.63 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.71 -44.95 84.54 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 126.517 1.927 . . . . 0.0 116.073 169.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -70.25 -20.22 63.08 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.05 -48.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-O 116.392 -1.766 . . . . 0.0 111.614 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.76 -27.8 60.09 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 117.86 2.541 . . . . 0.0 117.86 173.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.73 -35.99 57.45 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 117.205 -1.379 . . . . 0.0 112.981 168.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.294 19.3 mt -60.43 -64.02 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.515 2.797 0 C-N-CA 125.223 1.409 . . . . 0.0 108.48 169.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -48.05 -33.64 8.34 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 171.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.11 -50.19 70.32 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-O 118.307 -1.274 . . . . 0.0 114.96 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.8 -43.21 97.0 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 116.599 -1.667 . . . . 0.0 113.513 168.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.3 mt -58.51 -47.47 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.754 0 C-N-CA 125.768 1.627 . . . . 0.0 110.623 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -54.71 -44.41 73.43 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -67.22 -22.4 65.71 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 116.196 -1.859 . . . . 0.0 115.987 169.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.21 -66.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 CA-C-O 115.16 -2.352 . . . . 0.0 105.879 168.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -22.13 60.65 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.71 -46.37 25.76 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 116.631 -1.652 . . . . 0.0 111.567 169.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.19 -42.54 72.27 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.301 1.864 . . . . 0.0 113.385 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.0 -46.24 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 C-N-CA 126.515 1.926 . . . . 0.0 111.096 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.88 -34.51 69.85 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-N 120.834 1.652 . . . . 0.0 114.031 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.55 -43.61 84.61 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.67 -48.97 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.832 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.439 171.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.22 -27.89 69.3 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -76.36 -35.23 58.79 Favored 'General case' 0 N--CA 1.508 2.475 0 CA-C-N 120.555 1.525 . . . . 0.0 113.325 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -76.01 -43.3 44.85 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 117.714 2.487 . . . . 0.0 117.714 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -73.66 -47.71 37.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.56 -1.686 . . . . 0.0 115.061 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.69 -22.03 65.29 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -90.72 -35.25 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 116.439 -1.743 . . . . 0.0 108.173 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.27 -29.63 70.55 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 122.764 2.529 . . . . 0.0 111.234 166.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.81 -53.7 8.07 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 114.944 -2.455 . . . . 0.0 111.969 168.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.6 m -93.06 92.01 0.58 Allowed Pre-proline 0 CA--C 1.576 1.972 0 CA-C-N 122.999 2.636 . . . . 0.0 107.821 167.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.06 -12.79 36.3 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 124.726 3.618 . . . . 0.0 114.908 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -124.4 81.2 59.34 Favored Pre-proline 0 CA--C 1.588 2.433 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 168.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -87.52 -157.33 0.07 OUTLIER 'Trans proline' 0 CA--C 1.579 2.75 0 C-N-CA 123.814 3.01 . . . . 0.0 112.462 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -74.22 159.27 32.73 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.04 1.336 . . . . 0.0 112.338 171.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -53.17 -26.41 17.13 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -56.58 -39.04 72.83 Favored 'General case' 0 CA--C 1.576 1.967 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -70.77 -57.32 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 116.978 -1.487 . . . . 0.0 113.177 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -79.85 -41.35 26.5 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 117.247 -1.358 . . . . 0.0 113.872 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -44.44 -36.87 3.1 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 115.794 1.776 . . . . 0.0 115.794 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.64 -28.89 51.47 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 115.1 -2.381 . . . . 0.0 115.289 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.93 -41.79 96.9 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 122.97 2.623 . . . . 0.0 116.141 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.14 -30.17 71.38 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.68 -52.78 13.84 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.786 -2.055 . . . . 0.0 112.922 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.26 -34.63 78.8 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 mmt -71.45 -44.39 64.91 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 116.982 -1.485 . . . . 0.0 113.645 170.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -65.82 -28.16 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 169.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.17 -45.92 72.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.4 mt -68.91 -39.59 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-O 115.857 -2.02 . . . . 0.0 110.16 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.31 -49.5 75.9 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 121.619 2.009 . . . . 0.0 114.075 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.12 -43.58 70.71 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.6 1.546 . . . . 0.0 114.189 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 m -68.39 -50.24 54.39 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-O 115.719 -2.086 . . . . 0.0 112.654 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -37.89 69.26 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -69.8 -37.67 76.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 170.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 120.807 1.639 . . . . 0.0 114.773 169.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.36 -52.97 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 CA-C-O 116.676 -1.63 . . . . 0.0 113.113 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -53.9 -44.49 70.54 Favored 'General case' 0 N--CA 1.515 2.776 0 CA-C-N 120.849 1.659 . . . . 0.0 114.139 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -59.4 -30.1 68.2 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -71.41 -38.93 71.39 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.008 169.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.37 -47.22 76.13 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 169.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 115.714 -2.089 . . . . 0.0 115.194 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 t -59.1 -20.7 55.82 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.625 2.454 . . . . 0.0 117.625 169.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.09 -48.94 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.26 0 CA-C-O 116.061 -1.923 . . . . 0.0 108.005 168.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.4 -42.98 97.07 Favored 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 121.485 1.948 . . . . 0.0 115.494 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.62 -40.28 96.49 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m -72.52 -23.9 61.07 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.0 mt -74.68 -64.41 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 CA-C-N 121.051 1.75 . . . . 0.0 107.158 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -41.27 -30.33 0.17 Allowed 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -90.33 -35.43 15.24 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -77.04 3.61 11.97 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 172.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.251 0.4 OUTLIER -76.61 -63.93 1.23 Allowed 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 125.865 1.666 . . . . 0.0 112.598 -173.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.2 11.93 69.81 Favored Glycine 0 CA--C 1.55 2.232 0 CA-C-O 117.934 -1.481 . . . . 0.0 116.092 169.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.263 1.0 OUTLIER -76.28 -61.69 1.86 Allowed 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 116.618 -1.658 . . . . 0.0 110.212 171.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -170.72 72.41 0.06 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 121.013 1.733 . . . . 0.0 108.949 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -156.3 129.73 8.2 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.6 t -135.42 102.52 5.17 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.183 0.993 . . . . 0.0 108.394 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 p 50.41 161.22 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.317 2.247 . . . . 0.0 116.672 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 60.79 -51.17 0.1 Allowed 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 129.303 3.041 . . . . 0.0 115.399 -170.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -40.05 77.28 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 119.953 1.252 . . . . 0.0 113.015 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 tp -63.1 -33.03 74.57 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 125.615 1.566 . . . . 0.0 114.416 168.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -91.65 -43.66 9.48 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.705 1.602 . . . . 0.0 112.579 -168.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 11.6 mt -44.53 -47.06 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.776 0 C-N-CA 126.292 1.837 . . . . 0.0 112.237 167.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.24 -45.37 76.93 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.184 1.794 . . . . 0.0 112.218 -174.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.42 -24.43 64.74 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 116.476 -1.726 . . . . 0.0 114.591 168.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.6 m -65.82 -52.9 46.8 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 120.885 1.675 . . . . 0.0 112.963 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.71 -38.52 67.47 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 116.661 -1.638 . . . . 0.0 114.922 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.91 -45.15 93.46 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 172.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.5 m -69.28 -34.33 74.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 173.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -72.68 -47.12 49.94 Favored 'General case' 0 CA--C 1.582 2.194 0 CA-C-N 120.176 1.353 . . . . 0.0 112.124 169.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.77 -44.65 82.03 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.86 1.664 . . . . 0.0 114.241 169.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.9 m -64.71 -33.6 76.33 Favored 'General case' 0 CA--C 1.565 1.549 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.781 -1.581 . . . . 0.0 114.459 170.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -68.42 -33.74 74.76 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 119.922 1.237 . . . . 0.0 113.776 169.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.41 -41.45 89.5 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.1 t -73.11 -47.4 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.403 0 C-N-CA 125.509 1.523 . . . . 0.0 109.581 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.03 -11.52 0.09 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 116.89 2.182 . . . . 0.0 116.89 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.66 -53.93 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 CA-C-O 116.123 -1.894 . . . . 0.0 111.88 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.8 mmt -59.47 -41.13 89.06 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 121.643 2.019 . . . . 0.0 115.463 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.5 p -69.46 -29.83 67.59 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.62 -40.66 69.64 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.009 1.277 . . . . 0.0 111.403 168.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.96 -35.22 77.82 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.77 -44.09 73.35 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.672 1.589 . . . . 0.0 115.063 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.15 49.2 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 169.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.7 m -65.76 -45.57 82.05 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.871 1.669 . . . . 0.0 113.95 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -66.63 -47.8 71.47 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 116.195 -1.859 . . . . 0.0 113.932 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.2 t -68.1 -35.9 78.91 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.53 -12.58 61.66 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 116.23 -1.843 . . . . 0.0 115.072 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -75.31 -57.78 3.68 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 121.203 1.819 . . . . 0.0 110.841 168.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -85.86 -23.54 27.05 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.765 2.876 . . . . 0.0 118.765 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -82.43 -52.04 7.26 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 114.784 -2.531 . . . . 0.0 106.308 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -85.62 42.01 0.94 Allowed 'General case' 0 CA--C 1.583 2.224 0 CA-C-N 121.486 1.948 . . . . 0.0 112.246 167.109 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 t -84.36 12.36 6.88 Favored 'General case' 0 CA--C 1.585 2.302 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 162.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 144' ' ' ARG . 18.0 pttp . . . . . 0 N--CA 1.481 1.113 1 C-N-CA 134.27 5.028 . . . . 0.0 109.74 167.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 102.64 -3.096 . . . . 0.0 102.64 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -35.08 76.02 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -79.25 -43.91 22.81 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.2 mmm -68.33 -37.44 80.55 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 116.66 -1.638 . . . . 0.0 113.229 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -59.31 -43.49 92.64 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 116.487 -1.72 . . . . 0.0 113.901 168.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -37.26 82.59 Favored 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.91 1.686 . . . . 0.0 113.632 168.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -62.44 -41.83 99.01 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 116.182 -1.866 . . . . 0.0 115.676 169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -67.22 -39.42 86.27 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.19 -41.76 76.72 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.4 -26.94 67.48 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.63 -47.86 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 CA-C-O 116.581 -1.676 . . . . 0.0 111.307 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.55 -26.87 34.68 Favored 'General case' 0 CA--C 1.58 2.131 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -71.42 -53.46 13.95 Favored 'General case' 0 CA--C 1.586 2.339 0 C-N-CA 124.85 1.26 . . . . 0.0 111.296 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.255 17.1 mm -44.25 -47.76 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.569 0 C-N-CA 127.411 2.284 . . . . 0.0 112.772 169.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -55.68 -36.62 67.33 Favored 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -51.83 55.86 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 170.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -58.32 -37.74 75.72 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 169.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.6 -50.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 125.581 1.552 . . . . 0.0 110.321 176.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.83 -41.67 74.62 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -30.88 70.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.24 -62.85 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 CA-C-O 115.512 -2.185 . . . . 0.0 107.655 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.14 19.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 118.642 2.83 . . . . 0.0 118.642 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.03 -45.27 50.71 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 116.689 -1.624 . . . . 0.0 112.399 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.84 -42.92 69.55 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 115.979 -1.962 . . . . 0.0 113.981 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.41 -47.83 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-N 121.007 1.73 . . . . 0.0 110.448 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.96 -34.34 65.61 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-N 120.535 1.516 . . . . 0.0 114.218 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.13 -38.5 82.25 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.63 -51.24 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 0 CA-C-O 116.188 -1.863 . . . . 0.0 110.718 171.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -65.75 -18.63 65.46 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -80.98 -31.92 34.57 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 120.548 1.522 . . . . 0.0 111.486 167.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -73.37 -71.17 0.33 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.982 1.313 . . . . 0.0 112.157 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -43.4 -33.93 1.16 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 119.172 3.027 . . . . 0.0 119.172 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 m -88.59 -28.79 20.47 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.386 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 -13.88 60.5 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 121.94 2.155 . . . . 0.0 116.185 169.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.23 -46.78 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.04 -22.56 62.82 Favored 'General case' 0 N--CA 1.515 2.778 0 CA-C-N 123.395 2.816 . . . . 0.0 113.42 165.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -44.76 12.66 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 115.092 -2.385 . . . . 0.0 111.106 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.3 m -92.42 97.86 1.84 Allowed Pre-proline 0 CA--C 1.574 1.878 0 CA-C-N 122.776 2.534 . . . . 0.0 112.102 168.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -78.88 -5.51 14.66 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.651 2.901 . . . . 0.0 110.912 166.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -118.39 80.74 16.54 Favored Pre-proline 0 CA--C 1.597 2.78 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -86.02 -171.67 0.91 Allowed 'Trans proline' 0 CA--C 1.581 2.85 0 C-N-CA 124.754 3.636 . . . . 0.0 114.665 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -123.0 132.15 54.01 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 124.878 1.271 . . . . 0.0 107.871 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 40.47 71.36 0.19 Allowed 'General case' 0 N--CA 1.535 3.776 0 CA-C-O 125.63 2.633 . . . . 0.0 110.12 -167.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.756 ' C ' ' H ' ' A' ' 72' ' ' LYS . 67.3 mmtt -28.32 90.82 0.0 OUTLIER 'General case' 0 CA--C 1.474 -1.962 2 CA-C-N 102.745 -6.57 . . . . 0.0 107.108 -166.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -46.92 6.16 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 2 CA-C-N 101.402 -7.181 . . . . 0.0 116.971 -167.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.756 ' H ' ' C ' ' A' ' 70' ' ' LYS . 24.9 mmmt -91.3 -23.47 20.12 Favored 'General case' 0 N--CA 1.48 1.031 1 CA-C-N 106.933 -4.667 . . . . 0.0 114.151 179.263 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.81 -42.83 99.51 Favored 'General case' 0 CA--C 1.578 2.031 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 168.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.76 -21.95 56.95 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 115.997 -1.954 . . . . 0.0 116.187 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.77 -34.07 77.02 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 122.352 2.342 . . . . 0.0 114.937 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -21.66 66.58 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 119.842 1.201 . . . . 0.0 114.081 168.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.08 -54.87 6.2 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-O 114.773 -2.537 . . . . 0.0 111.628 169.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -29.48 70.31 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 123.144 2.702 . . . . 0.0 117.74 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.7 mmt -69.86 -49.04 56.22 Favored 'General case' 0 N--CA 1.505 2.296 0 CA-C-O 116.978 -1.487 . . . . 0.0 112.772 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.44 -26.04 67.78 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -69.77 -42.08 74.29 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 116.122 -1.894 . . . . 0.0 115.12 171.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.5 mt -77.24 -38.11 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 CA-C-N 121.279 1.854 . . . . 0.0 109.887 173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -59.66 -42.67 93.36 Favored 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 121.011 1.732 . . . . 0.0 114.74 169.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -68.19 -51.6 43.79 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.694 1.588 . . . . 0.0 113.651 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -65.14 -57.99 7.17 Favored 'General case' 0 CA--C 1.573 1.848 0 CA-C-O 115.054 -2.403 . . . . 0.0 110.862 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.63 -33.19 45.57 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 114.851 -2.499 . . . . 0.0 116.078 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -68.4 -37.1 80.03 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-N 122.273 2.306 . . . . 0.0 114.661 169.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -60.48 -34.15 73.63 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.473 1.488 . . . . 0.0 114.505 168.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.15 -60.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 C-N-CA 125.681 1.592 . . . . 0.0 109.34 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -53.27 -50.44 64.83 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 126.682 1.993 . . . . 0.0 113.602 -176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -60.41 -23.8 64.65 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 168.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -73.9 -39.96 63.5 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 117.247 -1.359 . . . . 0.0 114.375 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.0 -45.05 91.59 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 127.269 2.228 . . . . 0.0 115.33 170.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -63.54 -28.32 69.86 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 115.441 -2.219 . . . . 0.0 116.128 169.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.9 m -69.38 -28.08 65.88 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 121.643 2.02 . . . . 0.0 115.7 168.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.2 mm -77.49 -46.77 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 116.58 -1.676 . . . . 0.0 109.542 169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -64.02 -39.52 94.28 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 120.389 1.45 . . . . 0.0 114.805 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.56 -41.28 97.14 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.086 -1.435 . . . . 0.0 114.583 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m -75.45 -22.91 56.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 mt -77.24 -67.74 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 170.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -41.91 -29.57 0.22 Allowed 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -87.13 -37.5 17.31 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.67 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -78.11 1.74 20.22 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 119.877 1.217 . . . . 0.0 114.224 171.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -63.03 1.26 Allowed 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 125.429 1.492 . . . . 0.0 112.702 -170.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.16 12.85 66.55 Favored Glycine 0 CA--C 1.547 2.058 0 C-N-CA 125.181 1.372 . . . . 0.0 115.604 169.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.262 1.4 tt -80.09 -65.4 1.01 Allowed 'General case' 0 CA--C 1.564 1.488 0 CA-C-O 115.818 -2.039 . . . . 0.0 109.106 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -175.35 78.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 CA-C-N 121.602 2.001 . . . . 0.0 109.228 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -154.91 128.9 8.79 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.1 p -144.5 89.41 2.0 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 169.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.7 t -148.44 157.03 43.21 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.514 1.126 . . . . 0.0 111.789 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.07 -35.19 71.8 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -49.81 -44.02 48.95 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.99 -36.16 62.62 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 126.617 1.967 . . . . 0.0 114.541 168.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.0 -38.17 13.0 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 126.604 1.962 . . . . 0.0 110.584 -169.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.14 -48.98 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.564 0 C-N-CA 128.519 2.728 . . . . 0.0 110.635 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -55.03 -45.59 75.2 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 125.429 1.492 . . . . 0.0 114.359 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -62.11 -35.31 78.33 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.7 m -62.14 -49.56 75.38 Favored 'General case' 0 CA--C 1.58 2.126 0 C-N-CA 125.341 1.456 . . . . 0.0 113.666 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -78.85 -35.3 44.11 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 115.948 -1.977 . . . . 0.0 116.25 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -62.48 -45.88 91.01 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 121.647 2.022 . . . . 0.0 115.576 170.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -64.15 -39.63 94.41 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.1 m -70.03 -43.39 71.39 Favored 'General case' 0 CA--C 1.58 2.113 0 CA-C-O 117.309 -1.329 . . . . 0.0 112.67 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.9 mt -57.08 -42.96 81.66 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 116.895 -1.526 . . . . 0.0 114.103 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.1 p -63.11 -27.53 69.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 168.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -69.37 -42.08 75.67 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 116.592 -1.671 . . . . 0.0 114.813 169.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -72.07 -34.2 68.53 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-N 121.422 1.919 . . . . 0.0 113.387 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.04 -43.02 99.84 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 169.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.71 -43.14 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-O 116.97 -1.49 . . . . 0.0 114.381 175.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.68 -33.43 64.12 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -88.59 -53.06 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 CA-C-O 115.191 -2.338 . . . . 0.0 109.155 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.34 -43.48 77.4 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.896 2.589 . . . . 0.0 113.562 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.5 m -60.98 -27.51 68.34 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.795 1.634 . . . . 0.0 114.698 168.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.57 -41.72 62.56 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 125.503 1.521 . . . . 0.0 111.687 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.02 -34.56 76.44 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.74 -43.4 90.24 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 117.159 -1.401 . . . . 0.0 114.216 169.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.98 -28.9 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 169.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.5 m -67.0 -49.51 65.13 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-N 120.653 1.569 . . . . 0.0 113.431 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -66.62 -47.04 73.87 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 116.138 -1.887 . . . . 0.0 113.835 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 54.7 m -66.66 -37.13 84.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 171.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.04 -16.56 63.17 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 115.944 -1.979 . . . . 0.0 114.818 168.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.15 -42.89 36.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 121.394 1.906 . . . . 0.0 114.981 169.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -87.8 -23.36 24.08 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 117.13 2.271 . . . . 0.0 117.13 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.57 -62.8 1.43 Allowed 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 113.213 -3.279 . . . . 0.0 102.177 168.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -93.43 82.69 4.46 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-O 127.094 3.331 . . . . 0.0 109.654 166.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -102.38 -32.55 9.94 Favored 'General case' 0 CA--C 1.566 1.561 2 N-CA-C 94.063 -6.273 . . . . 0.0 94.063 162.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 54.7 mttm . . . . . 0 C--N 1.375 1.695 0 CA-C-N 112.537 -2.119 . . . . 0.0 108.373 167.387 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 102.639 -3.097 . . . . 0.0 102.639 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.09 -27.86 67.69 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -66.38 -45.51 79.83 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.92 -34.94 78.88 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 117.002 -1.475 . . . . 0.0 114.016 169.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.67 -42.91 84.51 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.939 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.25 -41.76 97.45 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.67 168.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.03 -40.78 86.07 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 116.384 -1.77 . . . . 0.0 115.398 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -65.66 -44.2 87.05 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.34 -40.97 81.4 Favored 'General case' 0 N--CA 1.502 2.171 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.22 -19.07 65.72 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.73 -47.28 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.654 0 CA-C-O 116.049 -1.929 . . . . 0.0 111.823 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.87 -27.64 44.13 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.35 -49.11 52.72 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 124.668 1.187 . . . . 0.0 112.595 169.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.261 28.0 mt -53.84 -54.96 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.9 0 C-N-CA 126.222 1.809 . . . . 0.0 110.79 169.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -53.92 -31.4 50.05 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.77 41.89 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-O 118.313 -1.27 . . . . 0.0 114.495 168.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -59.76 -29.86 68.47 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 116.76 -1.591 . . . . 0.0 115.234 168.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -69.42 -53.49 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 CA-C-O 116.392 -1.766 . . . . 0.0 109.459 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -48.97 -40.81 31.91 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 169.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -64.74 -15.56 61.71 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.2 mm -77.87 -67.78 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.219 0 CA-C-O 115.245 -2.312 . . . . 0.0 105.761 169.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.48 10.49 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -74.34 -46.86 38.05 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 116.847 -1.549 . . . . 0.0 111.923 169.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -69.9 -42.72 73.02 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 116.067 -1.921 . . . . 0.0 113.654 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 t -60.47 -46.71 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 120.872 1.669 . . . . 0.0 110.864 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.34 -34.75 66.88 Favored 'General case' 0 N--CA 1.508 2.436 0 CA-C-N 120.517 1.508 . . . . 0.0 113.895 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 25.7 tt0 -68.99 -39.18 79.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-O 117.039 -1.457 . . . . 0.0 113.431 168.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.8 t -47.63 -44.84 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.275 0 CA-C-N 120.573 1.533 . . . . 0.0 112.285 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -67.13 -35.23 79.28 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-O 116.168 -1.872 . . . . 0.0 115.289 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 26.9 ptt180 -74.51 -22.71 58.91 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-N 120.95 1.704 . . . . 0.0 113.436 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -75.41 -59.2 2.85 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 125.957 1.703 . . . . 0.0 114.219 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.22 -38.97 92.95 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -169.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 m -77.65 -38.91 46.77 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 116.041 -1.933 . . . . 0.0 115.593 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.85 67.87 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 169.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -86.03 -28.53 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 CA-C-O 115.177 -2.344 . . . . 0.0 108.121 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -73.29 -14.26 61.28 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-N 123.921 3.055 . . . . 0.0 110.022 165.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.0 -54.56 5.68 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 115.133 -2.365 . . . . 0.0 107.49 166.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m -93.54 75.43 0.03 OUTLIER Pre-proline 0 CA--C 1.586 2.362 0 CA-C-N 122.774 2.533 . . . . 0.0 110.268 166.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.3 -9.12 3.14 Favored 'Trans proline' 0 C--N 1.385 2.491 0 CA-C-N 127.861 3.843 . . . . 0.0 117.856 168.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -129.55 77.66 76.82 Favored Pre-proline 0 CA--C 1.588 2.436 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -86.45 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.393 2.886 0 C-N-CA 123.806 3.004 . . . . 0.0 112.866 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.59 159.39 33.17 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.958 1.303 . . . . 0.0 112.324 172.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.99 -24.8 25.89 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -35.69 77.5 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 169.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.8 p -70.0 -62.4 1.4 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 116.815 -1.564 . . . . 0.0 112.951 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -73.98 -44.67 53.94 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 120.004 1.274 . . . . 0.0 113.219 -169.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.08 -35.74 48.6 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 168.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.35 -18.36 49.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 115.249 -2.31 . . . . 0.0 115.395 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.667 2.94 . . . . 0.0 114.814 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.96 -22.55 67.02 Favored 'General case' 0 N--CA 1.504 2.273 0 CA-C-O 116.919 -1.515 . . . . 0.0 113.241 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -72.78 -50.92 21.31 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 114.514 -2.66 . . . . 0.0 112.531 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.38 -41.99 94.92 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 123.278 2.763 . . . . 0.0 115.978 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.79 -42.81 73.27 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.153 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.8 p -64.43 -32.12 73.61 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 168.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.33 -46.72 85.31 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.623 1.569 . . . . 0.0 115.164 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.9 mt -74.39 -33.83 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 CA-C-O 116.239 -1.839 . . . . 0.0 110.29 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -60.44 -45.11 94.86 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 121.126 1.784 . . . . 0.0 113.977 169.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -72.58 -45.0 61.29 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 116.378 -1.772 . . . . 0.0 114.16 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 m -70.91 -48.71 52.16 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 115.273 -2.299 . . . . 0.0 112.683 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.21 89.37 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 114.617 -2.611 . . . . 0.0 114.136 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.8 -31.69 72.8 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 122.682 2.492 . . . . 0.0 115.872 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -58.51 -42.45 87.73 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.27 -53.76 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 C-N-CA 125.759 1.624 . . . . 0.0 114.401 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -55.04 -49.67 70.99 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 125.784 1.633 . . . . 0.0 113.849 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -60.12 -21.45 61.59 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 168.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -89.58 -39.44 13.27 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.321 1.3 tt -64.76 -38.75 92.04 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.337 1.855 . . . . 0.0 113.521 171.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -57.98 -41.83 83.79 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.485 1.948 . . . . 0.0 114.124 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -53.04 -26.76 16.82 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 168.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -72.13 -48.07 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.341 0 CA-C-O 116.299 -1.81 . . . . 0.0 109.108 169.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -46.5 87.98 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.2 -39.51 82.85 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t -71.91 -26.45 62.31 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 169.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.4 mt -72.12 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 CA-C-O 117.062 -1.447 . . . . 0.0 108.111 172.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.48 -16.9 6.67 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -90.39 -35.19 15.33 Favored 'General case' 0 CA--C 1.566 1.582 0 CA-C-N 120.895 1.679 . . . . 0.0 112.899 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.46 -5.27 41.63 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 124.464 1.105 . . . . 0.0 113.53 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.252 1.2 pt-20 -74.23 -62.27 1.57 Allowed 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 125.717 1.607 . . . . 0.0 112.615 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.9 -8.72 36.15 Favored Glycine 0 CA--C 1.555 2.547 0 N-CA-C 118.379 2.112 . . . . 0.0 118.379 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 tp -50.56 -23.85 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 169.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 69.84 80.75 0.18 Allowed 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 129.003 2.921 . . . . 0.0 108.948 -169.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -38.48 5.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 119.592 3.182 . . . . 0.0 119.592 -169.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.1 t 25.37 71.45 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 128.719 2.808 . . . . 0.0 116.815 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.0 t -139.89 153.25 46.94 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.493 1.117 . . . . 0.0 111.856 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.85 -25.43 35.11 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -54.6 -40.46 68.89 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.0 -25.62 67.16 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -90.29 -34.15 15.85 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.75 1.62 . . . . 0.0 109.981 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.1 mt -60.85 -47.23 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.79 0 C-N-CA 127.711 2.405 . . . . 0.0 109.302 167.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -54.98 -41.25 70.96 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.104 1.762 . . . . 0.0 115.151 170.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 168.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -59.84 -44.74 93.92 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 125.478 1.511 . . . . 0.0 113.868 172.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -79.96 -40.22 28.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 115.658 -2.115 . . . . 0.0 114.437 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -63.04 -45.81 90.51 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-N 122.22 2.282 . . . . 0.0 115.263 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 t -70.09 -32.79 71.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 m -76.87 -44.71 30.96 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 116.992 -1.48 . . . . 0.0 111.912 169.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -59.94 -45.29 93.1 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.669 169.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -61.36 -26.74 68.03 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 169.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -68.88 -41.62 78.06 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -75.94 -34.54 59.86 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.515 1.507 . . . . 0.0 112.754 168.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.03 -34.91 77.1 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.61 -44.76 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.827 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.23 -30.28 62.14 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 173.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.46 -58.16 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 CA-C-O 114.587 -2.625 . . . . 0.0 107.768 173.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.6 mmm -66.2 -41.79 89.71 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 123.548 2.886 . . . . 0.0 114.209 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.4 t -61.93 -25.49 67.61 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 120.967 1.712 . . . . 0.0 115.492 168.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.61 -47.3 19.7 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 116.793 -1.575 . . . . 0.0 112.213 169.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.44 -27.29 64.21 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 170.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -64.63 -45.73 85.59 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 117.346 -1.311 . . . . 0.0 114.45 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.85 62.75 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 116.898 -1.525 . . . . 0.0 114.461 168.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.1 m -68.16 -35.86 78.73 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 116.065 -1.922 . . . . 0.0 115.454 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -71.87 -43.81 64.81 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 116.211 -1.852 . . . . 0.0 114.396 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.4 t -74.27 -41.37 61.35 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 121.245 1.839 . . . . 0.0 113.772 169.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.77 2.82 4.81 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.698 -1.62 . . . . 0.0 113.536 168.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 121.429 1.922 . . . . 0.0 108.264 165.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -156.71 46.55 0.43 Allowed 'General case' 0 N--CA 1.501 2.087 1 N-CA-C 123.802 4.741 . . . . 0.0 123.802 -167.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -84.24 -9.09 58.8 Favored 'General case' 0 N--CA 1.515 2.798 0 CA-C-N 112.136 -2.302 . . . . 0.0 108.025 165.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 138.57 -28.14 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.776 1 C-N-CA 134.406 5.083 . . . . 0.0 101.933 -168.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 t 47.9 46.04 18.83 Favored 'General case' 0 N--CA 1.524 3.241 1 CA-C-O 128.604 4.049 . . . . 0.0 112.775 -168.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt . . . . . 0 CA--C 1.545 0.765 1 CA-C-N 103.373 -6.285 . . . . 0.0 118.014 -167.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.562 1.426 0 CA-C-O 117.365 -1.302 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.21 -36.52 80.12 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -78.53 -48.18 15.78 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 116.368 -1.777 . . . . 0.0 113.124 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.08 -15.75 61.49 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.516 1.962 . . . . 0.0 114.276 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -68.24 -40.93 81.86 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.138 1.79 . . . . 0.0 110.426 167.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.36 -35.85 76.67 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.217 167.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -58.85 -48.24 82.06 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.13 -1.89 . . . . 0.0 113.901 168.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -60.89 -32.77 72.22 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.25 9.5 mt-10 -64.11 -47.78 78.65 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 126.358 1.863 . . . . 0.0 115.428 169.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.85 -14.57 62.0 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.95 -48.45 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 116.54 -1.695 . . . . 0.0 110.296 171.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.46 -28.72 31.92 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 169.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.06 -47.82 64.36 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.171 -1.395 . . . . 0.0 112.618 168.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.264 22.2 mt -55.12 -61.86 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 CA-C-N 120.142 1.337 . . . . 0.0 109.314 169.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -48.77 -34.34 12.08 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.7 -48.4 84.48 Favored Glycine 0 CA--C 1.557 2.658 0 CA-C-O 118.786 -1.008 . . . . 0.0 114.471 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -63.58 -36.57 84.25 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-O 116.797 -1.573 . . . . 0.0 114.894 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.84 -46.4 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.705 0 CA-C-N 120.779 1.627 . . . . 0.0 110.915 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -62.13 -43.17 99.43 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -67.64 -17.29 64.55 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -80.21 -65.55 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 CA-C-O 115.378 -2.249 . . . . 0.0 105.813 169.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -26.68 15.36 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.13 -44.05 55.19 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.938 -1.506 . . . . 0.0 112.605 169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.82 -43.95 74.49 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.472 1.487 . . . . 0.0 114.05 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.31 -46.49 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 C-N-CA 126.088 1.755 . . . . 0.0 110.99 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.8 -36.26 80.58 Favored 'General case' 0 N--CA 1.505 2.287 0 CA-C-O 116.525 -1.703 . . . . 0.0 115.099 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.27 -36.78 85.17 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 120.636 1.562 . . . . 0.0 114.939 169.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.76 -53.95 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.013 0 C-N-CA 125.391 1.476 . . . . 0.0 110.888 170.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.5 -15.75 40.84 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -49.87 18.66 Favored 'General case' 0 CA--C 1.589 2.447 0 C-N-CA 124.352 1.061 . . . . 0.0 109.433 167.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -81.85 -44.25 17.14 Favored 'General case' 0 CA--C 1.562 1.41 0 C-N-CA 125.432 1.493 . . . . 0.0 114.124 -172.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -50.5 -26.62 5.36 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 119.033 2.975 . . . . 0.0 119.033 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -90.05 -12.72 37.67 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 170.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.55 -31.41 22.7 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 117.001 -1.476 . . . . 0.0 109.826 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.79 -33.77 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 114.366 -2.731 . . . . 0.0 114.772 -168.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 63' ' ' ALA . 1.1 pp -38.67 -32.88 0.09 Allowed 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 124.402 3.274 . . . . 0.0 116.027 169.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' HD12 ' A' ' 62' ' ' LEU 0.336 . . -140.94 36.41 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 127.95 2.5 . . . . 0.0 115.628 -172.073 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -23.43 75.56 0.01 OUTLIER Pre-proline 0 CA--C 1.595 2.703 0 N-CA-C 119.894 3.294 . . . . 0.0 119.894 -162.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -67.66 -18.94 48.32 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 123.935 3.09 . . . . 0.0 113.87 167.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -135.33 -49.75 0.02 OUTLIER Pre-proline 0 CA--C 1.585 2.3 1 CA-C-O 111.319 -4.181 . . . . 0.0 109.332 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . 0.267 31.0 Cg_endo -61.12 -165.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.406 3.558 1 CA-C-N 129.714 4.505 . . . . 0.0 116.336 -172.408 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 178.48 154.07 0.37 Allowed 'General case' 0 N--CA 1.52 3.044 0 C-N-CA 127.603 2.361 . . . . 0.0 107.429 -167.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 45.72 58.75 4.07 Favored 'General case' 1 N--CA 1.551 4.59 0 CA-C-O 125.342 2.496 . . . . 0.0 107.534 -168.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 72' ' ' LYS . 12.4 tptp -28.31 82.79 0.0 OUTLIER 'General case' 0 CA--C 1.488 -1.424 1 CA-C-N 106.003 -5.09 . . . . 0.0 117.331 -163.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 p -20.48 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.368 3 CA-C-N 99.857 -7.883 . . . . 0.0 118.205 -167.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' LYS . 30.2 mmtp -91.27 -18.81 23.76 Favored 'General case' 0 N--CA 1.472 0.674 1 CA-C-N 106.736 -4.756 . . . . 0.0 106.768 169.091 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.19 -34.32 66.12 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.19 -32.09 16.76 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 115.633 -2.127 . . . . 0.0 115.324 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.65 -34.97 79.04 Favored 'General case' 0 N--CA 1.507 2.393 0 CA-C-N 122.747 2.521 . . . . 0.0 115.086 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.07 -18.54 63.48 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 121.675 2.034 . . . . 0.0 115.339 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.45 -50.15 11.23 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 114.96 -2.448 . . . . 0.0 110.772 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.96 -37.25 29.7 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 122.886 2.585 . . . . 0.0 117.474 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 38.1 mtt -70.16 -45.84 65.91 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.683 2.038 . . . . 0.0 113.291 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -64.7 -20.49 66.35 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 169.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.17 -47.24 52.35 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 124.907 1.283 . . . . 0.0 113.869 169.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -65.78 -41.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.318 0 CA-C-O 116.415 -1.755 . . . . 0.0 110.465 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.54 -45.75 84.71 Favored 'General case' 0 CA--C 1.578 2.031 0 CA-C-N 120.826 1.648 . . . . 0.0 114.394 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -65.53 -47.26 76.54 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 120.401 1.455 . . . . 0.0 114.729 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.1 m -70.24 -63.19 1.13 Allowed 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 115.455 -2.212 . . . . 0.0 110.07 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.36 -33.02 12.58 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 117.492 2.404 . . . . 0.0 117.492 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.41 -43.35 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 116.332 -1.794 . . . . 0.0 113.861 169.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.74 -35.27 75.96 Favored 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 120.983 1.719 . . . . 0.0 114.939 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.09 -54.86 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 C-N-CA 125.838 1.655 . . . . 0.0 109.348 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -55.78 -43.33 76.69 Favored 'General case' 0 N--CA 1.512 2.646 0 CA-C-N 120.426 1.466 . . . . 0.0 114.596 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 -30.48 71.38 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 169.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -70.23 -33.18 71.34 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.36 -46.47 73.27 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 117.169 -1.396 . . . . 0.0 114.001 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -61.07 -27.44 68.35 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 115.389 -2.243 . . . . 0.0 116.44 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 98.3 p -68.75 -31.38 70.39 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.944 2.156 . . . . 0.0 116.569 168.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.8 mm -74.36 -47.9 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 116.688 -1.625 . . . . 0.0 110.18 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.72 -44.06 97.1 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -63.12 -39.57 95.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.3 m -69.11 -20.73 64.07 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.1 mt -78.79 -65.74 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.415 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -50.83 -23.58 2.88 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.924 2.564 . . . . 0.0 117.924 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -80.89 -47.4 13.82 Favored 'General case' 0 CA--C 1.574 1.884 0 CA-C-N 120.71 1.596 . . . . 0.0 112.461 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.45 -12.29 59.94 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.344 1.4 tp10 -68.29 -63.71 1.01 Allowed 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 126.514 1.926 . . . . 0.0 112.953 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.22 -3.35 4.99 Favored Glycine 0 CA--C 1.565 3.2 0 N-CA-C 118.506 2.162 . . . . 0.0 118.506 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -35.11 74.31 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 169.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.263 40.7 p-10 99.06 90.26 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 130.717 3.607 . . . . 0.0 107.122 -170.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -126.3 161.31 28.08 Favored 'General case' 0 CA--C 1.574 1.868 0 C-N-CA 124.857 1.263 . . . . 0.0 113.883 -170.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.4 p -147.77 89.02 1.72 Allowed 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 167.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.2 t -144.77 158.04 43.94 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 124.747 1.219 . . . . 0.0 112.13 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.46 -15.17 3.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 118.82 2.896 . . . . 0.0 118.82 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -66.03 -36.74 84.08 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.624 1.712 . . . . 0.0 115.624 171.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.53 -20.33 65.41 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.56 -32.76 36.55 Favored 'General case' 0 CA--C 1.566 1.57 0 C-N-CA 126.901 2.08 . . . . 0.0 109.644 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.257 15.9 mt -65.57 -50.21 73.22 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.927 0 C-N-CA 128.063 2.545 . . . . 0.0 107.552 166.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -52.89 -44.34 66.84 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 126.26 1.824 . . . . 0.0 114.564 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -61.41 -36.08 79.3 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 125.704 1.602 . . . . 0.0 114.886 168.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -63.38 -48.88 76.06 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 125.301 1.44 . . . . 0.0 113.54 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.82 75.34 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 169.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.31 -36.75 85.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.019 -1.943 . . . . 0.0 115.057 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -70.15 -32.48 70.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.9 m -72.04 -48.66 42.83 Favored 'General case' 0 CA--C 1.582 2.204 0 CA-C-O 117.254 -1.355 . . . . 0.0 112.014 169.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -69.27 -41.26 77.11 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 116.362 -1.78 . . . . 0.0 115.435 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -56.71 -42.16 78.66 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.113 1.779 . . . . 0.0 114.872 170.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.75 -33.33 73.72 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 117.53 -1.224 . . . . 0.0 113.423 168.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.84 -44.24 97.23 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 169.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.52 -46.8 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 C-N-CA 125.635 1.574 . . . . 0.0 110.016 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.39 -13.43 0.57 Allowed 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -108.0 -57.06 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 116.509 -1.71 . . . . 0.0 107.403 169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.4 tpt -58.73 -39.4 80.75 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 121.263 1.847 . . . . 0.0 115.51 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.9 p -68.28 -33.07 73.68 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 169.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -71.49 -40.74 70.0 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 116.843 -1.551 . . . . 0.0 112.917 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -64.77 -32.9 74.79 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.819 169.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -57.86 -43.45 85.94 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 120.41 1.459 . . . . 0.0 114.375 169.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.5 -25.73 60.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 169.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.2 m -58.7 -44.37 90.29 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 120.305 1.412 . . . . 0.0 114.404 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -69.5 -47.31 64.24 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.7 t -66.44 -48.54 69.63 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 115.418 -2.229 . . . . 0.0 114.499 170.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.49 -29.69 37.41 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -69.48 -3.86 16.33 Favored 'General case' 0 CA--C 1.58 2.103 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -125.85 -31.51 2.9 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.824 1.647 . . . . 0.0 113.042 -169.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.94 -59.35 2.8 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 114.86 -2.495 . . . . 0.0 105.578 167.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -98.82 73.51 2.0 Favored 'General case' 0 CA--C 1.586 2.358 0 CA-C-O 128.201 3.858 . . . . 0.0 110.662 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.1 t -107.28 -31.19 8.31 Favored 'General case' 0 CA--C 1.565 1.551 2 N-CA-C 93.68 -6.415 . . . . 0.0 93.68 162.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt . . . . . 0 C--N 1.38 1.907 0 C-N-CA 129.645 3.178 . . . . 0.0 107.281 165.857 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 CA--C 1.565 1.532 0 CA-C-O 116.663 -1.637 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -65.78 -47.2 75.96 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.378 1.899 . . . . 0.0 114.788 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -80.95 -37.54 29.28 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 116.402 -1.761 . . . . 0.0 114.763 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.4 mtp -69.18 -38.71 78.81 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 116.096 -1.907 . . . . 0.0 113.579 169.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.11 -42.27 94.36 Favored 'General case' 0 N--CA 1.505 2.285 0 CA-C-N 121.63 2.014 . . . . 0.0 114.223 169.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.21 -30.67 71.59 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.506 1.503 . . . . 0.0 114.464 168.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.63 -46.73 88.53 Favored 'General case' 0 CA--C 1.573 1.841 0 CA-C-O 116.473 -1.727 . . . . 0.0 115.337 170.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.05 -37.47 75.55 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.39 -42.25 91.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -67.26 -27.41 67.18 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 173.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.63 -47.54 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-O 116.274 -1.822 . . . . 0.0 111.534 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -56.68 -29.91 62.85 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.6 -31.23 52.82 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.687 1.13 . . . . 0.0 113.457 168.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.257 24.1 mt -62.76 -60.9 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.744 0 C-N-CA 124.797 1.239 . . . . 0.0 108.921 169.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -45.28 -33.88 2.62 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.52 65.94 Favored Glycine 0 CA--C 1.555 2.539 0 CA-C-O 118.305 -1.275 . . . . 0.0 114.621 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.34 -38.87 91.17 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.389 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.0 mm -57.34 -48.84 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 C-N-CA 125.671 1.588 . . . . 0.0 111.409 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.68 -44.53 85.86 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 169.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -59.8 -27.25 66.42 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -73.21 -64.02 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.253 0 CA-C-O 115.325 -2.274 . . . . 0.0 106.776 169.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.19 26.36 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.39 -47.63 47.78 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 117.167 -1.397 . . . . 0.0 112.267 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -68.92 -41.94 77.46 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 116.454 -1.736 . . . . 0.0 113.873 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.7 -47.0 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.804 -2.046 . . . . 0.0 110.76 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.41 -34.33 72.33 Favored 'General case' 0 N--CA 1.506 2.34 0 CA-C-N 121.364 1.893 . . . . 0.0 115.432 169.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.97 -47.8 76.3 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -46.56 -48.81 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.305 0 C-N-CA 125.209 1.404 . . . . 0.0 111.592 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.8 -29.27 70.59 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.252 -1.832 . . . . 0.0 115.622 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -78.07 -34.28 50.41 Favored 'General case' 0 N--CA 1.511 2.618 0 CA-C-N 120.504 1.502 . . . . 0.0 112.728 168.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.88 -42.74 60.28 Favored 'General case' 0 CA--C 1.568 1.656 0 C-N-CA 125.948 1.699 . . . . 0.0 115.552 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -37.33 82.84 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 -168.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.1 m -89.98 -17.09 28.53 Favored 'General case' 0 N--CA 1.513 2.686 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 -23.0 22.64 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.596 168.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.545 HD13 ' HB ' ' A' ' 71' ' ' THR . 13.5 mt -109.5 -33.34 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 CA-C-O 114.605 -2.616 . . . . 0.0 112.659 -171.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -25.3 0.06 Allowed 'General case' 0 N--CA 1.519 2.996 0 CA-C-N 124.254 3.206 . . . . 0.0 117.389 169.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . 0.3 . . -143.58 39.99 1.41 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 127.182 2.193 . . . . 0.0 114.269 -177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.3 m -23.62 74.86 0.0 OUTLIER Pre-proline 0 CA--C 1.588 2.426 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -164.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -73.77 -9.46 22.51 Favored 'Trans proline' 0 C--N 1.403 3.404 0 C-N-CA 123.737 2.958 . . . . 0.0 114.865 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' H ' ' HD2' ' A' ' 67' ' ' PRO . 11.1 t-20 -137.29 -52.24 0.02 OUTLIER Pre-proline 0 CA--C 1.591 2.548 0 CA-C-O 112.026 -3.845 . . . . 0.0 108.673 170.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HD2' ' H ' ' A' ' 66' ' ' ASN . 97.1 Cg_endo -68.56 -168.21 0.21 Allowed 'Trans proline' 0 C--N 1.404 3.456 1 CA-C-N 128.949 4.232 . . . . 0.0 114.549 -176.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -150.25 -172.36 4.15 Favored 'General case' 0 CA--C 1.582 2.206 0 C-N-CA 126.918 2.087 . . . . 0.0 107.64 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.39 -25.57 16.09 Favored 'General case' 0 N--CA 1.512 2.633 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.03 -37.67 46.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 169.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.545 ' HB ' HD13 ' A' ' 61' ' ' ILE . 22.5 p -73.5 -44.87 56.8 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 116.083 -1.913 . . . . 0.0 114.39 169.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.26 -37.86 69.0 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 121.197 1.817 . . . . 0.0 114.112 -169.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.75 -36.4 64.77 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 169.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -75.74 -25.38 56.51 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-O 116.858 -1.544 . . . . 0.0 114.18 168.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.75 -32.61 71.89 Favored 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 120.98 1.718 . . . . 0.0 115.497 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.72 -22.49 66.06 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 117.521 -1.228 . . . . 0.0 114.098 168.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.69 -52.66 10.01 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 115.375 -2.25 . . . . 0.0 112.414 170.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -36.24 82.35 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 122.4 2.364 . . . . 0.0 116.848 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -66.49 -44.94 81.23 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.987 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -65.49 -24.68 67.21 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 168.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.54 -41.95 71.85 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.907 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.08 -39.36 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.546 0 CA-C-N 121.638 2.017 . . . . 0.0 110.505 171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.72 -45.99 85.02 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-N 121.818 2.099 . . . . 0.0 114.602 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.77 -47.18 63.89 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.573 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -67.32 -49.57 63.61 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 115.791 -2.052 . . . . 0.0 112.957 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.62 -40.19 68.66 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 115.195 -2.336 . . . . 0.0 115.416 170.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -67.93 -34.49 76.7 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 121.33 1.877 . . . . 0.0 116.039 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -63.05 -42.75 99.78 Favored 'General case' 0 CA--C 1.582 2.179 0 CA-C-N 120.471 1.487 . . . . 0.0 114.468 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 p -79.36 -53.95 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 116.873 -1.537 . . . . 0.0 113.882 175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.254 28.1 ptt180 -57.29 -43.89 83.57 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 120.623 1.556 . . . . 0.0 113.849 -172.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.6 m -69.88 -16.25 63.21 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 168.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -88.86 -36.99 15.68 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 120.478 1.49 . . . . 0.0 112.955 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.339 1.7 tt -62.25 -44.27 96.94 Favored 'General case' 0 CA--C 1.578 2.038 0 C-N-CA 126.872 2.069 . . . . 0.0 112.8 169.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -37.8 74.94 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 116.096 -1.906 . . . . 0.0 114.458 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 m -53.99 -28.56 38.56 Favored 'General case' 0 N--CA 1.505 2.275 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.0 mm -70.02 -46.51 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.423 0 CA-C-O 116.686 -1.626 . . . . 0.0 107.477 167.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -44.04 84.18 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 169.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.91 -42.86 94.8 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 171.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.0 m -67.64 -23.12 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 172.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.06 -60.32 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.41 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.038 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -49.13 -31.28 7.9 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 170.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -74.44 -9.37 58.52 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -114.45 -16.29 11.95 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 125.49 1.516 . . . . 0.0 113.411 169.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.336 23.6 tt0 -57.37 -58.33 8.75 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 128.684 2.794 . . . . 0.0 116.239 170.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.49 -22.72 25.0 Favored Glycine 0 CA--C 1.555 2.593 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.4 -4.25 10.59 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 116.318 1.969 . . . . 0.0 116.318 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 62.28 73.7 0.46 Allowed 'General case' 0 N--CA 1.508 2.45 0 C-N-CA 128.058 2.543 . . . . 0.0 111.395 -169.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -153.46 130.94 11.38 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.8 p -166.11 92.11 0.49 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 169.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.9 m -161.04 126.15 3.67 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.463 0.705 . . . . 0.0 112.241 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.401 ' H ' ' HD3' ' A' ' 114' ' ' ARG . . . 46.98 -40.54 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 1 N-CA-C 121.923 4.045 . . . . 0.0 121.923 169.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.09 -52.63 9.75 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.852 1.661 . . . . 0.0 113.905 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.64 -2.8 44.3 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.401 ' HD3' ' H ' ' A' ' 111' ' ' ALA . 56.3 mtp180 -91.07 -47.28 7.64 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 125.31 1.444 . . . . 0.0 109.336 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.27 4.4 mt -51.81 -50.05 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 126.665 1.986 . . . . 0.0 111.56 168.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -60.84 -42.77 98.42 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 125.159 1.384 . . . . 0.0 114.076 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -67.07 -28.02 67.84 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 m -63.02 -48.18 79.87 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.177 1.353 . . . . 0.0 113.745 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -77.59 -45.11 26.23 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 115.353 -2.26 . . . . 0.0 113.502 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -47.46 -51.55 19.87 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 122.223 2.283 . . . . 0.0 115.208 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -73.03 -31.1 64.23 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -71.72 -46.98 56.94 Favored 'General case' 0 CA--C 1.582 2.202 0 CA-C-N 120.784 1.629 . . . . 0.0 112.399 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.41 -42.8 99.31 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 170.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -62.85 -32.47 73.7 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 116.998 -1.477 . . . . 0.0 114.879 168.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -61.19 -47.86 84.2 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 116.893 -1.527 . . . . 0.0 113.375 169.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -64.56 -25.05 67.81 Favored 'General case' 0 CA--C 1.578 2.038 0 CA-C-N 119.912 1.233 . . . . 0.0 114.24 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.92 -43.1 93.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 169.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.05 -43.06 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 C-N-CA 125.393 1.477 . . . . 0.0 110.282 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.57 -12.61 1.85 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.53 -59.98 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 CA-C-O 115.697 -2.097 . . . . 0.0 107.251 171.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.0 mmm -63.29 -37.98 89.36 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.335 2.334 . . . . 0.0 114.985 -171.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.2 m -63.06 -28.05 69.82 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.88 -45.78 26.94 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 116.6 -1.667 . . . . 0.0 112.132 169.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -61.35 -26.02 67.54 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 169.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.84 -42.95 99.67 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.358 168.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.01 60.88 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.1 m -69.74 -47.43 63.06 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.614 -1.66 . . . . 0.0 113.482 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.09 -43.03 95.81 Favored 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 120.517 1.508 . . . . 0.0 114.514 172.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.9 m -66.94 -28.14 68.05 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 115.893 -2.003 . . . . 0.0 114.9 168.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.49 -31.22 70.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 169.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.02 -30.94 68.39 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 169.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -133.49 -0.65 3.21 Favored 'General case' 0 N--CA 1.514 2.762 0 N-CA-C 119.058 2.984 . . . . 0.0 119.058 -169.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.33 -49.67 13.19 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.796 1.238 . . . . 0.0 109.362 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 146' ' ' LYS . 56.3 ttt180 -84.83 -73.96 0.41 Allowed 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 102.359 -3.2 . . . . 0.0 102.359 167.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.47 5.04 0.03 OUTLIER 'General case' 0 N--CA 1.526 3.33 0 CA-C-O 124.931 2.301 . . . . 0.0 112.782 -165.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 144' ' ' ARG . 9.9 ptpp? . . . . . 0 N--CA 1.5 2.05 0 C-N-CA 131.216 3.806 . . . . 0.0 116.612 -167.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 CA--C 1.561 1.383 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.95 -43.57 78.79 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.88 -39.22 30.94 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 116.474 -1.727 . . . . 0.0 114.419 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.5 mtp -69.35 -41.86 76.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-O 116.015 -1.945 . . . . 0.0 113.049 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.05 -41.36 74.93 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 121.413 1.915 . . . . 0.0 114.938 169.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.57 -39.12 93.16 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 120.034 1.288 . . . . 0.0 113.42 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -61.01 -41.54 96.74 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-O 116.31 -1.805 . . . . 0.0 115.652 169.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.5 -32.62 72.71 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.327 0.5 OUTLIER -73.31 -46.41 49.67 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 125.435 1.494 . . . . 0.0 114.665 176.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -66.67 -38.0 85.91 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -45.93 -44.07 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.905 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -62.13 -41.62 98.43 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.558 -1.687 . . . . 0.0 114.66 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.46 -31.46 69.77 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -59.48 -55.13 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 CA-C-O 116.443 -1.741 . . . . 0.0 108.586 169.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -44.43 -33.98 1.88 Allowed 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.6 -53.12 48.04 Favored Glycine 0 CA--C 1.554 2.469 0 C-N-CA 124.893 1.235 . . . . 0.0 113.908 168.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.93 -27.19 69.2 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 116.513 -1.708 . . . . 0.0 115.096 168.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.58 -59.48 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.69 0 CA-C-O 116.633 -1.651 . . . . 0.0 109.014 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.65 -36.77 47.51 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 170.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -63.23 -21.59 66.32 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 169.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.56 -67.59 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.225 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.67 29.15 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 118.586 2.81 . . . . 0.0 118.586 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -76.51 -45.45 30.83 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.761 -1.59 . . . . 0.0 112.059 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.68 -43.71 71.95 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.95 1.705 . . . . 0.0 113.831 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.4 t -57.6 -46.13 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.732 0 C-N-CA 126.163 1.785 . . . . 0.0 110.82 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.59 -33.75 68.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 120.486 1.493 . . . . 0.0 113.943 168.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -66.76 -43.42 84.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 168.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -46.89 -46.54 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.184 0 C-N-CA 125.797 1.639 . . . . 0.0 112.455 169.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.64 -31.52 70.72 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-O 115.806 -2.045 . . . . 0.0 115.636 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -72.97 -25.74 61.11 Favored 'General case' 0 CA--C 1.586 2.335 0 CA-C-N 121.332 1.878 . . . . 0.0 112.62 168.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.24 -65.18 1.03 Allowed 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.442 1.897 . . . . 0.0 112.529 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -48.69 -38.55 21.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 118.484 2.772 . . . . 0.0 118.484 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.0 t -82.19 -31.28 30.45 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.03 -16.95 57.64 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 122.011 2.187 . . . . 0.0 114.839 169.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt -93.01 -34.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 127.548 2.339 . . . . 0.0 106.055 170.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.28 -30.08 70.88 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 122.383 2.356 . . . . 0.0 112.114 165.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.69 -53.53 7.87 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 115.273 -2.298 . . . . 0.0 111.098 168.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.7 m -93.29 76.96 0.04 OUTLIER Pre-proline 0 CA--C 1.582 2.181 0 CA-C-N 122.474 2.397 . . . . 0.0 110.608 167.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -58.53 -8.63 5.7 Favored 'Trans proline' 0 C--N 1.384 2.445 0 CA-C-N 127.319 3.65 . . . . 0.0 117.292 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.61 77.92 76.31 Favored Pre-proline 0 CA--C 1.586 2.363 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -89.04 -164.57 0.17 Allowed 'Trans proline' 0 C--N 1.392 2.825 0 C-N-CA 123.993 3.129 . . . . 0.0 113.242 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -75.53 164.74 26.03 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 125.035 1.334 . . . . 0.0 112.471 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.63 -26.7 23.3 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -55.81 -38.59 70.19 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 169.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.5 p -75.82 -64.27 1.12 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.027 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -75.06 -37.52 61.62 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 116.687 -1.625 . . . . 0.0 113.676 -169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.11 -37.41 71.92 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 120.621 1.555 . . . . 0.0 113.386 168.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.9 -13.74 59.78 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.333 -2.27 . . . . 0.0 114.954 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.44 -48.65 66.62 Favored 'General case' 0 N--CA 1.507 2.386 0 CA-C-N 123.337 2.789 . . . . 0.0 113.928 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.86 -27.77 69.39 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -73.07 -52.8 12.97 Favored 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 115.336 -2.269 . . . . 0.0 112.976 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.12 -42.53 84.34 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 122.048 2.204 . . . . 0.0 115.959 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 mmt -66.14 -44.85 82.99 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 117.146 -1.406 . . . . 0.0 113.637 171.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -65.33 -25.83 67.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 168.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.18 -46.24 81.61 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 170.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.9 mt -69.91 -36.44 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 CA-C-O 116.27 -1.824 . . . . 0.0 110.684 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.39 -49.98 74.73 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 121.062 1.755 . . . . 0.0 113.512 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -69.36 -43.93 72.58 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 116.7 -1.619 . . . . 0.0 114.304 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.5 m -68.94 -49.92 53.84 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-O 115.672 -2.108 . . . . 0.0 112.907 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.58 89.7 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.147 -2.359 . . . . 0.0 114.654 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -66.91 -33.63 76.02 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 121.487 1.948 . . . . 0.0 115.998 170.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -61.5 -36.87 81.72 Favored 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 p -90.28 -53.72 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 125.658 1.583 . . . . 0.0 113.32 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -57.34 -42.24 81.55 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.053 1.297 . . . . 0.0 114.33 -170.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 m -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 169.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.48 -36.67 20.42 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.809 1.641 . . . . 0.0 112.307 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.31 1.3 tt -67.47 -38.56 84.6 Favored 'General case' 0 CA--C 1.583 2.234 0 C-N-CA 125.847 1.659 . . . . 0.0 112.319 169.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.9 -29.98 70.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 115.535 -2.174 . . . . 0.0 114.323 168.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -62.07 -22.29 65.66 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 121.747 2.067 . . . . 0.0 115.971 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.9 mm -77.12 -54.93 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 CA-C-O 115.879 -2.01 . . . . 0.0 108.044 169.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.61 -34.58 74.45 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-N 121.751 2.069 . . . . 0.0 116.113 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -63.11 -41.64 99.39 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.902 1.681 . . . . 0.0 114.882 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -69.65 -31.93 70.3 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.11 -54.94 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.074 0 CA-C-O 116.371 -1.776 . . . . 0.0 107.546 -172.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.99 -19.22 51.2 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -82.57 -42.9 17.72 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 116.464 -1.731 . . . . 0.0 112.711 170.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.49 -34.93 70.58 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 116.812 -1.566 . . . . 0.0 113.974 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.317 4.1 tt0 -48.93 -55.78 10.78 Favored 'General case' 0 CA--C 1.58 2.096 0 C-N-CA 126.481 1.912 . . . . 0.0 114.928 169.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -42.57 -31.25 1.02 Allowed Glycine 0 N--CA 1.496 2.66 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 169.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.28 -11.71 16.58 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 168.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 73.58 83.53 0.12 Allowed 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 128.247 2.619 . . . . 0.0 108.934 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -145.84 142.31 28.7 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.67 1.188 . . . . 0.0 109.698 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -140.95 107.8 5.4 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.2 t -143.41 152.59 41.75 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.65 72.38 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 116.92 2.193 . . . . 0.0 116.92 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -37.4 54.74 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 169.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.439 HD12 HH21 ' A' ' 116' ' ' ARG . 15.1 tp -63.64 -33.45 75.65 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 125.799 1.64 . . . . 0.0 114.978 169.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -90.82 -38.45 12.96 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.661 1.584 . . . . 0.0 110.192 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 47.2 mt -51.7 -37.3 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.777 0 C-N-CA 127.623 2.369 . . . . 0.0 110.158 167.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.439 HH21 HD12 ' A' ' 113' ' ' LEU . 13.8 mtm180 -61.44 -46.94 87.97 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.658 1.583 . . . . 0.0 113.025 170.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -63.54 -23.16 67.27 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.4 m -63.58 -48.88 75.6 Favored 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.854 1.262 . . . . 0.0 113.503 173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -76.08 -40.26 53.48 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 116.011 -1.947 . . . . 0.0 113.974 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.76 -35.06 79.34 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 115.751 -2.071 . . . . 0.0 115.842 170.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -36.01 75.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 169.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.0 m -71.03 -45.73 63.38 Favored 'General case' 0 CA--C 1.583 2.234 0 CA-C-N 119.923 1.238 . . . . 0.0 111.89 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -47.31 86.67 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.664 1.585 . . . . 0.0 114.759 171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.4 t -67.88 -45.7 73.77 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 115.925 -1.988 . . . . 0.0 114.971 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -52.6 -42.22 64.37 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 121.468 1.94 . . . . 0.0 114.813 171.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -68.05 -33.2 74.12 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 117.448 -1.263 . . . . 0.0 113.392 168.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -40.93 97.14 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 171.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.35 -38.82 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.926 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.82 -6.9 0.6 Allowed 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 169.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.14 -54.41 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 116.685 -1.626 . . . . 0.0 112.653 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 66.3 mmm -62.82 -40.9 98.82 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.048 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -63.75 -25.72 68.32 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 168.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.05 -41.78 49.67 Favored 'General case' 0 CA--C 1.573 1.843 0 CA-C-O 116.557 -1.687 . . . . 0.0 111.458 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.19 -31.57 63.56 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -64.35 -45.4 87.96 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 117.661 -1.161 . . . . 0.0 114.024 169.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.11 -15.43 62.97 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.507 167.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 43.5 m -69.45 -41.14 76.67 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 116.18 -1.867 . . . . 0.0 114.846 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.74 -39.29 70.17 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 116.553 -1.689 . . . . 0.0 114.803 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.2 t -75.64 -42.05 52.55 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.01 169.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.96 -8.01 40.55 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 121.279 1.854 . . . . 0.0 113.002 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.57 -23.71 66.92 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 116.366 -1.778 . . . . 0.0 111.873 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -158.88 39.88 0.23 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 119.958 3.318 . . . . 0.0 119.958 -169.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.85 -35.04 64.73 Favored 'General case' 0 CA--C 1.603 3.019 0 CA-C-O 125.349 2.499 . . . . 0.0 105.65 165.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.44 ' H ' ' H ' ' A' ' 145' ' ' SER . 66.1 ttt-85 179.34 -20.19 0.0 OUTLIER 'General case' 0 CA--C 1.583 2.244 1 C-N-CA 135.317 5.447 . . . . 0.0 100.253 168.243 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.44 ' H ' ' H ' ' A' ' 144' ' ' ARG . 8.0 t 47.36 42.44 13.99 Favored 'General case' 0 N--CA 1.528 3.466 0 CA-C-N 125.953 3.979 . . . . 0.0 114.649 -169.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 56.9 pttt . . . . . 0 CA--C 1.552 1.05 1 CA-C-N 103.849 -6.068 . . . . 0.0 116.086 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.566 1.576 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.96 -41.34 91.36 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 121.421 1.919 . . . . 0.0 115.964 -175.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -78.46 -38.58 40.79 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 116.691 -1.623 . . . . 0.0 114.332 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.3 mmm -68.0 -39.14 83.28 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.073 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.28 -41.86 85.28 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-N 120.472 1.487 . . . . 0.0 114.074 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.83 -33.35 75.79 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 117.187 -1.387 . . . . 0.0 113.919 168.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -64.55 -45.24 87.95 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 116.213 -1.851 . . . . 0.0 115.459 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -65.32 -34.34 78.09 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 121.144 1.793 . . . . 0.0 115.794 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.73 -45.54 71.24 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 126.459 1.904 . . . . 0.0 115.884 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.59 -38.14 77.22 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.68 -44.88 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.05 -31.0 72.04 Favored 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.53 -41.94 83.55 Favored 'General case' 0 CA--C 1.587 2.371 0 C-N-CA 124.485 1.114 . . . . 0.0 113.46 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 36.8 mt -54.19 -61.17 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 C-N-CA 127.51 2.324 . . . . 0.0 110.098 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -51.07 -29.04 11.88 Favored 'General case' 0 N--CA 1.517 2.907 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.55 -51.98 38.16 Favored Glycine 0 CA--C 1.556 2.602 0 CA-C-O 118.153 -1.36 . . . . 0.0 115.11 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.23 -40.22 89.44 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.1 mt -61.94 -45.24 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.769 0 CA-C-O 117.14 -1.409 . . . . 0.0 109.498 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -49.4 -44.78 45.46 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-N 120.233 1.379 . . . . 0.0 114.279 168.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -64.56 -23.89 67.42 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.88 -64.11 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.287 0 CA-C-O 115.259 -2.305 . . . . 0.0 106.624 169.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.13 -24.33 10.21 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 119.001 2.963 . . . . 0.0 119.001 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.53 -46.08 34.23 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.862 -1.542 . . . . 0.0 112.277 169.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.18 -44.26 76.31 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 116.435 -1.745 . . . . 0.0 114.121 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.38 -47.68 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 CA-C-O 116.51 -1.71 . . . . 0.0 110.73 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.35 -35.38 67.58 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 120.628 1.558 . . . . 0.0 114.086 169.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' HE ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -68.35 -38.15 81.18 Favored 'General case' 0 CA--C 1.577 1.986 0 CA-C-O 117.115 -1.421 . . . . 0.0 113.786 168.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 78' ' ' LEU . 43.6 t -49.43 -53.65 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 CA-C-O 116.74 -1.6 . . . . 0.0 109.829 169.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -62.83 -27.63 69.46 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HE ' ' HG2' ' A' ' 53' ' ' GLU . 35.9 ptt180 -75.32 -29.3 59.97 Favored 'General case' 0 N--CA 1.511 2.612 0 CA-C-N 120.605 1.548 . . . . 0.0 112.931 168.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -79.09 -70.57 0.49 Allowed 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 124.409 1.084 . . . . 0.0 112.211 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -25.83 5.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.225 3.046 . . . . 0.0 119.225 -169.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 m -90.82 -34.05 15.45 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 116.119 -1.896 . . . . 0.0 115.538 169.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 120.94 1.7 . . . . 0.0 114.993 174.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.1 mt -88.61 -44.6 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 116.104 -1.903 . . . . 0.0 108.816 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.9 tp -54.65 -30.51 55.39 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.058 2.663 . . . . 0.0 113.011 167.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.42 40.41 Favored 'General case' 0 CA--C 1.569 1.706 0 CA-C-O 116.72 -1.609 . . . . 0.0 111.949 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 m -93.3 87.06 0.28 Allowed Pre-proline 0 CA--C 1.581 2.167 0 C-N-CA 127.27 2.228 . . . . 0.0 115.49 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -81.84 6.46 5.65 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 124.206 3.271 . . . . 0.0 112.985 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.04 -55.68 3.0 Favored Pre-proline 0 CA--C 1.593 2.609 0 CA-C-O 112.517 -3.611 . . . . 0.0 110.351 169.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -50.07 -59.45 1.2 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 CA-C-N 128.679 4.136 . . . . 0.0 114.73 169.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.306 21.0 t70 61.85 -121.76 0.74 Allowed 'General case' 0 N--CA 1.516 2.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.442 170.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.15 -25.78 9.79 Favored 'General case' 0 N--CA 1.511 2.601 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -53.56 47.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.558 169.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -96.6 -1.59 46.57 Favored 'General case' 0 CA--C 1.582 2.193 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.31 -38.44 13.37 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.328 1.851 . . . . 0.0 112.357 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.75 -34.23 1.48 Allowed 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 169.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.23 -25.83 52.03 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-O 117.198 -1.382 . . . . 0.0 114.139 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.08 -37.52 74.64 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 121.042 1.747 . . . . 0.0 115.553 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.36 -20.54 65.6 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 168.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.52 -57.44 3.82 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 116.592 -1.671 . . . . 0.0 111.937 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -63.7 -29.65 70.85 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 174.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 41.1 mtt -71.61 -55.47 7.7 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 116.326 -1.797 . . . . 0.0 112.118 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 t -55.86 -25.59 42.99 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 117.574 2.435 . . . . 0.0 117.574 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.54 -46.22 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.76 -43.85 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 CA-C-O 114.999 -2.429 . . . . 0.0 110.045 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -63.66 -37.19 86.42 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 122.818 2.553 . . . . 0.0 114.837 170.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -68.16 -46.44 70.77 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.351 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.8 m -72.4 -61.0 1.95 Allowed 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 114.901 -2.476 . . . . 0.0 109.761 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.57 24.05 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 123.688 2.949 . . . . 0.0 117.631 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -71.31 -44.08 65.83 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 117.506 -1.235 . . . . 0.0 112.291 168.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.17 -38.54 71.04 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 168.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.69 -51.75 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 C-N-CA 126.064 1.746 . . . . 0.0 110.673 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -55.94 -39.95 72.47 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 t -67.48 -18.33 65.02 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.29 -47.28 11.68 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 115.788 -2.053 . . . . 0.0 111.888 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.307 0.7 OUTLIER -68.61 -28.69 67.14 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 122.047 2.203 . . . . 0.0 115.613 169.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -66.9 -26.37 66.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.541 -2.647 . . . . 0.0 114.728 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.4 m -61.43 -24.31 66.44 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 123.189 2.722 . . . . 0.0 114.876 167.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.43 -49.87 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.133 0 C-N-CA 126.631 1.972 . . . . 0.0 109.254 169.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.63 -36.99 74.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.258 1.844 . . . . 0.0 115.662 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.4 -38.62 77.74 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 64.0 m -65.23 -43.93 89.86 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.288 8.3 mt -75.49 -21.04 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 114.141 -2.838 . . . . 0.0 109.574 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.91 -12.07 61.09 Favored 'General case' 0 CA--C 1.593 2.6 0 O-C-N 126.303 2.252 . . . . 0.0 110.536 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -83.13 -6.33 59.44 Favored 'General case' 0 CA--C 1.578 2.047 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 165.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.364 7.2 pt-20 68.5 55.45 0.5 Allowed 'General case' 0 N--CA 1.491 1.575 1 C-N-CA 132.159 4.184 . . . . 0.0 112.017 168.253 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.418 0.8 OUTLIER -93.62 -67.75 0.84 Allowed 'General case' 0 CA--C 1.56 1.337 2 CA-C-N 104.32 -5.855 . . . . 0.0 113.483 -177.797 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.53 -8.64 5.5 Favored Glycine 0 N--CA 1.481 1.646 0 CA-C-O 116.326 -2.374 . . . . 0.0 118.801 169.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.9 mt -31.85 -54.68 0.28 Allowed 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 119.899 1.85 . . . . 0.0 115.348 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 159.37 87.95 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 129.263 3.025 . . . . 0.0 103.225 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -135.82 161.25 36.12 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.8 p -47.4 153.51 0.51 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -169.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m 79.58 143.02 0.08 Allowed 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 127.347 2.259 . . . . 0.0 111.376 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.99 -32.43 63.42 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -51.87 -40.08 60.02 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 169.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.82 -22.37 66.01 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 169.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.66 -41.98 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.733 1.613 . . . . 0.0 109.642 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.5 mt -50.07 -41.24 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.509 0 C-N-CA 128.281 2.632 . . . . 0.0 111.584 168.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -59.35 -43.65 92.77 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 125.198 1.399 . . . . 0.0 114.099 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -63.16 -39.47 94.75 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 168.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.3 m -60.22 -44.77 94.91 Favored 'General case' 0 CA--C 1.577 1.982 0 C-N-CA 124.931 1.292 . . . . 0.0 113.991 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -77.01 -42.91 36.69 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 115.275 -2.298 . . . . 0.0 113.512 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.78 -36.34 82.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 122.782 2.537 . . . . 0.0 115.76 172.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.9 m -69.38 -39.9 77.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 170.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.8 m -69.87 -44.55 69.57 Favored 'General case' 0 CA--C 1.582 2.199 0 CA-C-N 120.817 1.644 . . . . 0.0 113.129 169.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.97 -44.29 91.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-O 116.75 -1.595 . . . . 0.0 113.914 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.5 m -70.02 -25.68 63.7 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 169.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -68.68 -41.72 78.84 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-N 120.5 1.5 . . . . 0.0 114.671 170.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -73.15 -36.66 66.69 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.53 1.514 . . . . 0.0 113.296 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.1 -36.43 84.01 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.5 p -69.66 -44.61 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.721 1.6 . . . . 0.0 113.897 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.37 -29.09 47.33 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.78 -55.09 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 CA-C-O 115.542 -2.171 . . . . 0.0 108.388 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.5 tpt -62.98 -43.36 99.01 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 122.341 2.337 . . . . 0.0 114.335 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 m -66.37 -30.59 71.0 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -71.23 -39.2 71.83 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.036 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.77 -39.94 93.42 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.04 -40.52 76.94 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 169.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.27 61.27 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 169.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.3 m -65.34 -46.91 78.38 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.597 1.544 . . . . 0.0 113.674 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.56 -46.49 47.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.463 -1.732 . . . . 0.0 113.973 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.6 m -64.66 -36.3 83.81 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 173.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.23 -32.68 69.06 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 116.958 -1.496 . . . . 0.0 114.547 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.49 -37.51 82.98 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 119.939 1.245 . . . . 0.0 113.772 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -81.95 -22.97 36.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.414 1.886 . . . . 0.0 115.935 174.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.27 68.06 1.51 Allowed 'General case' 0 N--CA 1.503 2.206 1 CA-C-O 131.899 5.619 . . . . 0.0 112.014 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.757 ' C ' ' H ' ' A' ' 146' ' ' LYS . 30.2 ttm180 -165.34 -84.21 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.521 4 CA-C-N 95.893 -9.685 . . . . 0.0 86.029 167.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.6 p 56.81 -26.73 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.477 0 CA-C-N 124.609 3.368 . . . . 0.0 114.062 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.757 ' H ' ' C ' ' A' ' 144' ' ' ARG . 41.5 mtpt . . . . . 0 N--CA 1.485 1.31 2 CA-C-N 107.441 -4.436 . . . . 0.0 108.077 168.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.563 1.469 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.38 -42.0 93.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 120.873 1.67 . . . . 0.0 115.249 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -81.54 -39.02 25.28 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.587 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mtp -71.26 -43.02 68.03 Favored 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 115.878 -2.01 . . . . 0.0 112.755 169.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -56.29 -38.64 71.49 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 121.737 2.062 . . . . 0.0 115.044 169.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.54 -39.83 92.18 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 116.939 -1.505 . . . . 0.0 113.183 169.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.18 -42.87 87.0 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.79 -45.79 70.37 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.33 -38.45 86.95 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 116.817 2.155 . . . . 0.0 116.817 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -70.73 -35.86 72.91 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.19 -48.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 CA-C-O 116.641 -1.647 . . . . 0.0 113.816 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -60.18 -26.7 66.54 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.11 -43.44 64.75 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.474 169.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.271 18.8 mt -60.74 -54.36 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.861 0 C-N-CA 126.041 1.737 . . . . 0.0 110.546 171.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -53.24 -31.41 43.2 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 169.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -50.07 66.21 Favored Glycine 0 CA--C 1.553 2.407 0 CA-C-O 118.17 -1.35 . . . . 0.0 115.332 168.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.34 -43.23 99.22 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-O 116.779 -1.581 . . . . 0.0 113.358 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.67 -46.78 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.86 0 C-N-CA 125.794 1.637 . . . . 0.0 111.032 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -50.5 -46.43 57.11 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -70.16 -21.49 63.06 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 116.478 -1.725 . . . . 0.0 115.235 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.41 -56.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.942 0 CA-C-O 115.096 -2.383 . . . . 0.0 107.915 169.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.47 -35.05 78.1 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 122.568 2.44 . . . . 0.0 116.782 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -68.01 -43.13 79.53 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.74 -1.6 . . . . 0.0 112.489 169.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.72 -45.16 65.43 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.021 -1.942 . . . . 0.0 113.232 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.265 0.3 OUTLIER -61.41 -47.94 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-N 120.56 1.527 . . . . 0.0 114.495 177.812 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -57.44 -32.91 67.37 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 124.814 1.246 . . . . 0.0 113.085 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HG3' ' HE ' ' A' ' 56' ' ' ARG . 12.5 tt0 -66.83 -47.43 72.0 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 168.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.9 t -44.77 -48.34 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.855 0 C-N-CA 125.445 1.498 . . . . 0.0 111.953 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.85 -26.19 68.22 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.301 -2.285 . . . . 0.0 116.075 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HE ' ' HG3' ' A' ' 53' ' ' GLU . 36.3 ptt180 -80.35 -30.29 37.98 Favored 'General case' 0 N--CA 1.509 2.479 0 CA-C-N 121.944 2.156 . . . . 0.0 113.487 169.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -77.7 -43.36 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.881 2.128 . . . . 0.0 114.287 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -51.01 -30.76 16.08 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 119.261 3.06 . . . . 0.0 119.261 174.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -82.0 -45.2 15.65 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 116.034 -1.936 . . . . 0.0 114.37 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.59 66.62 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 118.787 2.884 . . . . 0.0 118.787 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 75' ' ' LEU 0.269 39.9 mt -99.5 -39.26 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 -179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.36 -30.88 69.83 Favored 'General case' 0 CA--C 1.595 2.682 0 CA-C-N 122.578 2.444 . . . . 0.0 110.345 165.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.26 -40.2 62.5 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 114.723 -2.56 . . . . 0.0 112.776 167.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 p -93.09 91.18 0.49 Allowed Pre-proline 0 CA--C 1.586 2.337 0 CA-C-N 123.334 2.788 . . . . 0.0 110.74 167.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -76.28 -6.97 17.7 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 124.481 3.454 . . . . 0.0 112.0 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -119.93 80.9 26.29 Favored Pre-proline 0 CA--C 1.596 2.742 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 168.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -75.68 166.76 27.75 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 123.921 3.08 . . . . 0.0 116.031 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -111.14 128.47 55.9 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 41.85 70.38 0.28 Allowed 'General case' 0 N--CA 1.534 3.751 0 CA-C-O 124.904 2.288 . . . . 0.0 109.479 -167.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.746 ' C ' ' H ' ' A' ' 72' ' ' LYS . 38.0 mmtm -27.97 88.25 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.725 2 CA-C-N 104.07 -5.968 . . . . 0.0 108.155 -166.343 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -38.82 2.36 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.811 3 CA-C-N 101.276 -7.238 . . . . 0.0 118.521 -167.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.746 ' H ' ' C ' ' A' ' 70' ' ' LYS . 90.6 mttt -91.04 -15.97 28.69 Favored 'General case' 0 C--N 1.303 -1.454 1 CA-C-N 106.054 -5.066 . . . . 0.0 111.627 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -37.63 -43.92 0.66 Allowed 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -90.03 -25.97 20.54 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.558 -2.163 . . . . 0.0 114.41 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 HD13 ' A' ' 61' ' ' ILE . 96.2 mt -64.16 -35.41 80.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 122.429 2.377 . . . . 0.0 116.088 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.18 -22.45 66.95 Favored 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 168.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.33 -56.95 4.11 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-O 115.15 -2.357 . . . . 0.0 111.799 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -31.59 72.55 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -177.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.7 mtt -72.93 -47.09 48.63 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 116.856 -1.545 . . . . 0.0 112.156 170.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -65.79 -16.8 64.13 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.24 -45.85 21.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 115.899 -2.0 . . . . 0.0 113.279 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.12 -44.94 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 121.996 2.18 . . . . 0.0 109.91 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -47.97 -52.83 18.15 Favored 'General case' 0 CA--C 1.59 2.494 0 CA-C-N 123.093 2.679 . . . . 0.0 114.024 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.87 -47.16 66.61 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 117.139 -1.41 . . . . 0.0 114.731 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -56.05 8.39 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 115.548 -2.167 . . . . 0.0 111.384 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.75 -39.4 24.8 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 121.243 1.838 . . . . 0.0 115.741 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.91 -38.38 69.93 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 116.387 -1.768 . . . . 0.0 115.476 169.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -62.96 -41.5 99.55 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.874 1.67 . . . . 0.0 114.521 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.96 -52.48 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.225 0 CA-C-O 116.206 -1.854 . . . . 0.0 113.13 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.44 -44.62 92.88 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 121.378 1.899 . . . . 0.0 114.027 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.4 m -60.13 -24.17 64.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 168.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.63 -47.86 14.72 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.245 -1.836 . . . . 0.0 113.966 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.3 -20.51 63.01 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 121.229 1.831 . . . . 0.0 114.353 169.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.276 17.2 tptm -60.2 -51.3 70.17 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-O 116.147 -1.882 . . . . 0.0 111.547 168.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -51.47 -23.28 3.8 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 mm -73.43 -53.52 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 115.871 -2.014 . . . . 0.0 109.347 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.33 -33.87 75.53 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 121.539 1.972 . . . . 0.0 115.446 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -64.84 -43.62 92.43 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 m -75.25 -24.16 57.59 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 117.58 2.437 . . . . 0.0 117.58 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 mt -79.96 -59.82 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.398 0 CA-C-N 120.629 1.559 . . . . 0.0 106.966 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -43.49 -26.4 0.21 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 172.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.7 -35.72 15.61 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 116.982 -1.485 . . . . 0.0 114.787 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 3.45 14.38 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -63.23 1.3 Allowed 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.214 1.405 . . . . 0.0 113.012 -171.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.32 15.36 63.0 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-O 118.136 -1.369 . . . . 0.0 115.286 169.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.285 1.5 tt -79.66 -65.91 0.94 Allowed 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 115.622 -2.133 . . . . 0.0 108.6 171.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -177.17 85.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 121.696 2.044 . . . . 0.0 108.595 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -154.28 127.58 8.47 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 172.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.6 p -140.42 86.01 2.04 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 m -152.22 153.97 34.85 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 124.414 1.086 . . . . 0.0 111.543 -169.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.74 90.56 3.68 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 125.151 2.405 . . . . 0.0 106.612 168.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -171.59 -51.89 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.499 0 C-N-CA 129.811 3.245 . . . . 0.0 103.903 -169.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -27.08 67.49 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.358 2.263 . . . . 0.0 112.539 166.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -90.05 -44.69 9.66 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 128.257 2.623 . . . . 0.0 108.417 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.26 -50.2 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.674 0 C-N-CA 127.95 2.5 . . . . 0.0 110.554 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -64.26 -39.46 93.99 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.707 1.603 . . . . 0.0 113.371 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -66.85 -33.1 74.85 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.615 167.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.5 m -58.22 -42.43 86.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -71.57 -44.82 63.81 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.649 -2.12 . . . . 0.0 113.819 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -61.07 -34.45 74.93 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 122.028 2.194 . . . . 0.0 115.924 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.9 m -69.18 -40.22 78.25 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.8 m -69.33 -43.57 73.42 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-N 120.728 1.604 . . . . 0.0 113.088 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.78 -47.52 82.31 Favored 'General case' 0 N--CA 1.505 2.297 0 C-N-CA 125.743 1.617 . . . . 0.0 112.761 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.8 t -63.82 -39.86 95.24 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 116.4 -1.762 . . . . 0.0 115.294 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.88 -44.15 77.85 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-N 120.845 1.657 . . . . 0.0 115.314 173.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -72.57 -27.53 62.25 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.402 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 169.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.2 t -77.73 -44.6 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.754 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.95 -9.68 1.45 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 169.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.7 -66.97 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 CA-C-O 116.108 -1.901 . . . . 0.0 108.107 172.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.2 mmm -63.44 -46.21 87.32 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.895 2.134 . . . . 0.0 113.37 -169.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -21.59 66.75 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 168.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.32 -45.26 40.76 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.396 168.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.99 -35.59 75.34 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 168.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -48.96 -40.56 30.89 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.946 1.298 . . . . 0.0 114.274 168.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.19 52.29 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.427 168.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.9 m -65.67 -48.99 70.25 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.046 1.748 . . . . 0.0 113.584 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -70.31 -46.52 64.1 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.144 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m -71.75 -29.59 64.67 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.84 -17.53 58.93 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 121.241 1.837 . . . . 0.0 113.145 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -68.99 -63.44 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.54 1.518 . . . . 0.0 112.338 169.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -9.87 58.89 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -135.77 74.27 1.5 Allowed 'General case' 0 N--CA 1.502 2.137 1 CA-C-O 131.662 5.506 . . . . 0.0 113.692 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.615 ' C ' ' H ' ' A' ' 146' ' ' LYS . 27.2 ttm180 -174.22 -84.07 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.283 4 CA-C-N 96.285 -9.507 . . . . 0.0 85.419 167.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p 64.56 -41.16 0.27 Allowed 'General case' 0 C--N 1.411 3.27 0 C-N-CA 128.007 2.523 . . . . 0.0 108.558 -166.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.615 ' H ' ' C ' ' A' ' 144' ' ' ARG . 43.4 mtmt . . . . . 0 N--CA 1.48 1.062 1 CA-C-N 108.373 -4.012 . . . . 0.0 107.813 167.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.566 1.583 0 CA-C-O 116.751 -1.595 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -69.45 -32.63 71.68 Favored 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -62.63 -44.26 96.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mmm -67.03 -37.83 84.82 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 116.912 -1.518 . . . . 0.0 113.771 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -55.1 -40.64 70.66 Favored 'General case' 0 N--CA 1.505 2.302 0 CA-C-O 117.312 -1.327 . . . . 0.0 114.467 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.71 -37.38 84.58 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.25 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.78 -41.11 97.31 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 116.265 -1.826 . . . . 0.0 115.588 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -68.15 -33.74 75.04 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.31 0.0 OUTLIER -72.7 -45.2 60.01 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 177.363 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.53 -39.63 85.05 Favored 'General case' 0 N--CA 1.503 2.225 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -44.92 -45.3 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.906 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -61.55 -41.44 97.37 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 116.422 -1.752 . . . . 0.0 114.651 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.0 -26.65 65.12 Favored 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 168.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.258 21.5 mt -66.7 -54.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.849 0 C-N-CA 125.311 1.444 . . . . 0.0 109.46 169.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -50.04 -34.36 21.15 Favored 'General case' 0 N--CA 1.511 2.604 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 169.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.52 58.14 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 124.928 1.252 . . . . 0.0 115.118 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.23 -33.92 76.53 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 116.374 -1.774 . . . . 0.0 114.802 168.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mt -64.73 -54.54 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 CA-C-O 116.707 -1.616 . . . . 0.0 109.558 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.81 -45.12 39.89 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.72 -17.51 35.33 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 169.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.9 mm -80.06 -66.14 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 CA-C-O 115.353 -2.26 . . . . 0.0 105.491 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.77 -29.87 5.02 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.2 -43.34 34.06 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.264 -1.35 . . . . 0.0 113.231 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.88 -40.0 95.51 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.258 -1.83 . . . . 0.0 114.855 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.58 -48.58 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.587 0 CA-C-O 116.324 -1.798 . . . . 0.0 110.243 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.75 -33.13 33.58 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 120.942 1.701 . . . . 0.0 115.297 169.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.23 -38.68 71.96 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 117.261 -1.352 . . . . 0.0 113.527 168.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.9 -41.79 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.077 0 CA-C-O 116.395 -1.764 . . . . 0.0 112.474 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -33.15 74.48 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 115.343 -2.265 . . . . 0.0 115.658 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -70.01 -28.43 65.49 Favored 'General case' 0 N--CA 1.516 2.856 0 CA-C-N 122.153 2.252 . . . . 0.0 113.795 168.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -74.1 -70.37 0.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.241 1.417 . . . . 0.0 111.617 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -49.43 -23.25 1.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 119.257 3.058 . . . . 0.0 119.257 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -90.82 -38.26 13.09 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.708 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.82 -26.33 44.21 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.253 1.842 . . . . 0.0 114.942 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.39 -42.87 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.613 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.829 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -48.6 -36.11 14.98 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-N 123.29 2.768 . . . . 0.0 113.396 167.066 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.85 -45.1 45.41 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 116.43 -1.747 . . . . 0.0 112.639 167.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -93.51 85.74 0.24 Allowed Pre-proline 0 CA--C 1.58 2.129 0 C-N-CA 127.048 2.139 . . . . 0.0 116.312 173.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -81.29 -0.13 10.31 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 124.09 3.193 . . . . 0.0 112.567 168.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -68.39 -52.74 19.83 Favored Pre-proline 0 CA--C 1.589 2.48 0 CA-C-O 112.572 -3.585 . . . . 0.0 111.62 169.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -51.91 -69.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.4 3.281 1 CA-C-N 128.495 4.07 . . . . 0.0 112.507 169.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 31.95 110.14 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.749 0 C-N-CA 126.82 2.048 . . . . 0.0 115.131 169.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 72.11 -10.23 0.91 Allowed 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.727 2.411 . . . . 0.0 113.663 -168.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -90.02 -59.26 2.24 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.399 1.879 . . . . 0.0 107.714 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -28.77 43.37 Favored 'General case' 0 CA--C 1.576 1.961 0 CA-C-O 116.961 -1.495 . . . . 0.0 113.714 170.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.88 -35.5 69.78 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 116.011 -1.947 . . . . 0.0 114.911 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.86 -33.28 35.65 Favored 'General case' 0 N--CA 1.511 2.603 0 CA-C-N 122.5 2.409 . . . . 0.0 115.288 169.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -73.43 -23.15 60.09 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 115.98 -1.962 . . . . 0.0 114.223 168.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.5 mt -56.5 -33.26 65.83 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 122.11 2.232 . . . . 0.0 115.579 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.62 -28.86 69.9 Favored 'General case' 0 N--CA 1.503 2.205 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.58 -53.2 9.85 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 115.946 -1.978 . . . . 0.0 112.525 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.11 -28.53 69.5 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.513 2.412 . . . . 0.0 117.513 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.1 mtt -72.01 -45.19 61.85 Favored 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 116.945 -1.502 . . . . 0.0 112.554 169.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -65.97 -26.41 67.55 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.63 -43.41 72.74 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 116.448 -1.739 . . . . 0.0 115.086 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.57 -39.91 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.439 0 CA-C-O 115.882 -2.009 . . . . 0.0 110.269 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -59.45 -43.85 93.07 Favored 'General case' 0 CA--C 1.58 2.11 0 CA-C-N 121.65 2.023 . . . . 0.0 114.504 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.38 -47.4 67.47 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.446 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.7 m -69.06 -50.05 51.94 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.785 175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.04 -41.8 68.47 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 115.313 -2.279 . . . . 0.0 115.245 172.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -69.01 -36.37 77.7 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 121.164 1.802 . . . . 0.0 115.755 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -35.16 75.24 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.12 -52.95 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 125.882 1.673 . . . . 0.0 114.078 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -59.15 -43.11 92.03 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.975 1.31 . . . . 0.0 114.077 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.0 m -66.62 -22.89 66.11 Favored 'General case' 0 CA--C 1.563 1.469 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 169.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -88.05 -32.59 18.69 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 120.471 1.487 . . . . 0.0 113.065 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.305 0.9 OUTLIER -68.81 -44.1 74.23 Favored 'General case' 0 CA--C 1.58 2.132 0 C-N-CA 125.493 1.517 . . . . 0.0 112.922 169.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -33.86 60.45 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 116.504 -1.712 . . . . 0.0 114.671 169.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.5 t -56.19 -26.32 50.37 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 168.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.33 -49.93 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.257 0 CA-C-O 116.328 -1.796 . . . . 0.0 107.462 168.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -53.96 -42.34 68.82 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 169.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -58.41 -40.25 81.96 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.875 1.805 . . . . 0.0 115.875 169.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.5 m -65.76 -28.75 69.26 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 118.013 2.598 . . . . 0.0 118.013 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HB3' ' A' ' 117' ' ' LYS . 42.6 mt -80.01 -60.09 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.07 -24.91 1.78 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 117.132 2.271 . . . . 0.0 117.132 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -80.21 -39.28 29.45 Favored 'General case' 0 CA--C 1.571 1.756 0 CA-C-N 120.724 1.602 . . . . 0.0 113.625 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.65 -6.45 59.38 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.313 23.1 tt0 -76.53 -62.47 1.61 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 127.971 2.508 . . . . 0.0 113.002 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.57 -13.89 33.02 Favored Glycine 0 CA--C 1.563 3.079 0 N-CA-C 118.25 2.06 . . . . 0.0 118.25 169.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.5 tp -47.87 -28.15 2.48 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 71.56 78.93 0.16 Allowed 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 128.025 2.53 . . . . 0.0 108.159 -168.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.49 156.6 35.28 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 124.173 0.989 . . . . 0.0 111.411 -169.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.8 m -137.46 94.77 2.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.4 t -144.92 149.72 35.76 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 124.202 1.001 . . . . 0.0 111.533 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -105.67 -31.85 8.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 116.917 -1.516 . . . . 0.0 115.03 169.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.39 -38.43 63.37 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 169.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.61 -30.97 63.84 Favored 'General case' 0 N--CA 1.507 2.416 0 C-N-CA 125.942 1.697 . . . . 0.0 114.885 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.2 -36.04 15.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.094 1.758 . . . . 0.0 109.715 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.13 -43.87 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.515 0 C-N-CA 127.403 2.281 . . . . 0.0 110.514 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -58.07 -41.28 83.03 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.769 1.228 . . . . 0.0 114.092 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.431 ' HB3' HD13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -74.45 -33.34 62.9 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 171.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.5 m -49.5 -41.01 39.67 Favored 'General case' 0 CA--C 1.586 2.33 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -79.46 -41.61 27.16 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.159 -1.877 . . . . 0.0 114.029 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -56.31 -47.14 79.29 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 121.816 2.098 . . . . 0.0 115.574 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.5 m -68.98 -30.17 68.53 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.3 m -73.68 -50.27 21.73 Favored 'General case' 0 CA--C 1.583 2.236 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.428 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.7 -40.53 95.53 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 115.972 -1.966 . . . . 0.0 115.311 174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m -66.57 -43.03 86.11 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 116.338 -1.792 . . . . 0.0 115.115 171.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -53.11 -43.68 67.04 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.826 1.648 . . . . 0.0 114.129 169.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -70.31 -29.38 66.09 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 117.635 -1.174 . . . . 0.0 113.925 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.54 -37.18 85.98 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.34 -45.09 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 125.509 1.523 . . . . 0.0 109.949 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -55.2 -11.0 0.63 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.5 t -106.91 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 CA-C-O 115.994 -1.955 . . . . 0.0 106.764 170.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 32.3 mmt -55.0 -38.06 67.39 Favored 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 122.162 2.255 . . . . 0.0 115.793 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -68.27 -32.16 72.12 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 169.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.63 -47.79 62.21 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 125.168 1.387 . . . . 0.0 112.527 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -55.38 -29.3 58.19 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.67 -47.94 68.06 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 117.234 -1.365 . . . . 0.0 114.107 169.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.78 -14.67 63.18 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 168.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 26.6 m -71.43 -49.58 40.26 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-O 116.893 -1.527 . . . . 0.0 112.669 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.25 -42.88 65.12 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 116.555 -1.688 . . . . 0.0 114.286 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.7 m -65.07 -39.8 93.76 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.2 -25.16 66.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 120.612 1.551 . . . . 0.0 115.018 169.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -71.5 -48.46 48.84 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 117.079 -1.439 . . . . 0.0 113.72 169.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -66.62 -32.99 74.67 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 127.353 2.261 . . . . 0.0 116.508 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . 0.25 40.9 mt-10 -93.98 -48.63 6.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 112.24 -3.743 . . . . 0.0 103.928 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.461 ' O ' HD21 ' A' ' 62' ' ' LEU 0.302 47.3 ttt180 -102.27 78.13 1.72 Allowed 'General case' 0 CA--C 1.591 2.552 1 CA-C-O 128.72 4.105 . . . . 0.0 107.007 162.063 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -107.6 -37.83 6.06 Favored 'General case' 0 CA--C 1.563 1.473 2 N-CA-C 89.329 -8.026 . . . . 0.0 89.329 162.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.6 mttp . . . . . 0 C--N 1.387 2.202 0 CA-C-O 123.475 1.607 . . . . 0.0 107.735 164.513 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 CA--C 1.568 1.658 0 CA-C-O 116.447 -1.74 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -64.49 -43.44 94.13 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 115.937 1.828 . . . . 0.0 115.937 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.39 -43.46 50.02 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.6 mmm -72.04 -38.76 69.47 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 116.577 -1.678 . . . . 0.0 112.605 172.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.58 -39.03 75.83 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 115.843 -2.027 . . . . 0.0 115.121 169.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.9 -40.79 83.42 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 121.599 2.0 . . . . 0.0 114.353 168.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.29 -47.9 80.29 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 170.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -70.95 -43.17 68.71 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 116.369 -1.777 . . . . 0.0 114.809 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.92 -41.1 78.63 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -45.41 -41.52 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 171.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.65 -37.82 87.89 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.56 -27.0 60.32 Favored 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 168.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.29 25.5 mt -63.14 -59.01 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.734 0 C-N-CA 126.725 2.01 . . . . 0.0 109.215 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -46.53 -31.33 2.7 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 122.041 2.2 . . . . 0.0 116.818 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.66 33.46 Favored Glycine 0 CA--C 1.552 2.386 0 CA-C-O 117.905 -1.497 . . . . 0.0 115.361 168.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -60.99 -33.57 73.44 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.422 -1.752 . . . . 0.0 115.293 169.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.9 -52.74 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.677 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.852 174.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -47.59 -41.25 21.24 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 169.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -64.57 -23.64 67.33 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -68.74 -53.51 26.51 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.952 0 CA-C-O 115.355 -2.259 . . . . 0.0 109.006 169.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -62.49 -36.52 82.78 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 122.013 2.188 . . . . 0.0 116.144 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.77 -44.49 81.23 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 116.706 -1.616 . . . . 0.0 113.056 169.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.88 -42.28 77.2 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 116.422 -1.751 . . . . 0.0 114.242 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 48' ' ' ALA 0.253 0.9 OUTLIER -63.84 -48.68 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 CA-C-N 120.245 1.384 . . . . 0.0 113.967 179.019 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.14 -33.73 69.49 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.487 168.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.87 -45.55 85.57 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 168.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -50.85 -44.96 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.953 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.261 168.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -60.15 -32.91 71.48 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.019 2.229 . . . . 0.0 117.019 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.66 -35.54 62.82 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 120.074 1.306 . . . . 0.0 113.29 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.82 -40.21 33.5 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -35.53 81.0 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.611 2.449 . . . . 0.0 117.611 -174.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -76.27 -48.43 20.22 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 116.449 -1.738 . . . . 0.0 115.17 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.69 68.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 169.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.9 mt -81.24 -31.74 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.159 0 CA-C-O 116.066 -1.921 . . . . 0.0 108.832 170.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 tp -66.33 -21.61 66.26 Favored 'General case' 0 CA--C 1.589 2.444 0 CA-C-N 123.033 2.652 . . . . 0.0 111.516 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.94 2.13 Favored 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 115.129 -2.367 . . . . 0.0 109.5 168.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 m -92.79 93.87 0.79 Allowed Pre-proline 0 CA--C 1.571 1.764 0 CA-C-N 122.885 2.584 . . . . 0.0 107.77 167.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -77.49 -7.91 17.0 Favored 'Trans proline' 0 C--N 1.384 2.404 0 C-N-CA 123.817 3.012 . . . . 0.0 111.496 167.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -116.17 81.87 10.85 Favored Pre-proline 0 CA--C 1.595 2.674 0 N-CA-C 103.374 -2.824 . . . . 0.0 103.374 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -105.62 -146.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.588 3.219 0 C-N-CA 123.989 3.126 . . . . 0.0 112.189 -171.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -79.36 151.14 31.16 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 124.836 1.254 . . . . 0.0 110.018 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -53.55 -27.63 27.19 Favored 'General case' 0 N--CA 1.513 2.684 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -58.64 -37.87 76.89 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -75.13 -50.69 15.52 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.97 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -84.01 -38.73 20.55 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.703 1.592 . . . . 0.0 114.541 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -55.45 -31.37 61.89 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 169.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.85 -28.92 62.81 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 115.383 -2.246 . . . . 0.0 115.226 169.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.18 -39.87 95.89 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 122.784 2.538 . . . . 0.0 115.343 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.86 -25.99 67.87 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 116.905 -1.522 . . . . 0.0 113.954 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -70.94 -51.52 25.36 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-O 115.035 -2.412 . . . . 0.0 112.633 170.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.75 -36.98 85.1 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.443 2.383 . . . . 0.0 117.306 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.2 mtt -72.13 -43.53 64.55 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 116.956 -1.497 . . . . 0.0 113.306 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -66.12 -20.43 66.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.32 -49.52 22.59 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 117.24 -1.362 . . . . 0.0 114.019 169.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.74 -39.78 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.369 0 CA-C-O 116.444 -1.741 . . . . 0.0 110.085 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -57.64 -52.64 64.59 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 121.041 1.746 . . . . 0.0 113.795 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -69.9 -43.16 72.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 116.63 -1.652 . . . . 0.0 114.624 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.5 m -70.54 -60.39 2.29 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 114.232 -2.794 . . . . 0.0 110.311 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -36.5 45.59 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 123.082 2.674 . . . . 0.0 115.666 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -69.0 -39.71 79.18 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 116.28 -1.819 . . . . 0.0 115.375 170.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -55.24 -39.49 69.8 Favored 'General case' 0 CA--C 1.588 2.437 0 CA-C-N 121.446 1.93 . . . . 0.0 114.865 169.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . 0.255 11.7 p -90.41 -53.18 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.323 0 C-N-CA 126.78 2.032 . . . . 0.0 113.509 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.25 16.0 ptt180 -58.28 -46.51 85.92 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 120.621 1.555 . . . . 0.0 112.571 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 t -60.21 -18.99 52.23 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 167.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -73.05 -35.29 66.68 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 124.053 0.941 . . . . 0.0 110.612 168.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.62 -38.11 83.66 Favored 'General case' 0 CA--C 1.574 1.881 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.692 167.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -55.73 -29.26 59.22 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 115.634 -2.127 . . . . 0.0 116.309 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -69.3 -23.58 63.83 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 120.809 1.64 . . . . 0.0 114.662 167.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.7 mm -81.05 -49.7 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 C-N-CA 126.714 2.006 . . . . 0.0 109.695 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.92 -38.59 73.06 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.72 -38.19 72.0 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 169.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 t -72.16 -32.13 66.57 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.508 ' HA ' ' HG2' ' A' ' 104' ' ' GLU 0.252 4.0 mt -90.37 -24.66 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-O 114.345 -2.741 . . . . 0.0 109.867 178.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.86 -9.11 57.86 Favored 'General case' 0 CA--C 1.591 2.533 0 O-C-N 126.729 2.518 . . . . 0.0 110.849 165.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -70.9 -29.84 66.02 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 163.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 106' ' ' LEU 0.459 6.4 tp10 68.34 82.62 0.17 Allowed 'General case' 0 N--CA 1.489 1.498 2 C-N-CA 132.519 4.328 . . . . 0.0 102.99 168.883 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 100' ' ' ILE 0.4 7.4 pt-20 -91.12 -39.44 12.15 Favored 'General case' 0 CA--C 1.552 1.024 1 CA-C-N 96.122 -9.581 . . . . 0.0 107.084 -169.752 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -72.67 4.98 18.8 Favored Glycine 1 CA--C 1.588 4.602 0 CA-C-N 111.613 -2.54 . . . . 0.0 112.216 164.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 2.8 tp -33.81 -33.92 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.615 0 C-N-CA 129.12 2.968 . . . . 0.0 117.675 167.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 109.33 85.4 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 131.431 3.892 . . . . 0.0 103.97 -169.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -134.29 -2.36 2.81 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -171.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.9 m 56.73 81.73 0.13 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 129.736 3.214 . . . . 0.0 113.59 174.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -155.87 153.99 30.57 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.797 1.239 . . . . 0.0 111.141 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.28 -163.84 1.06 Allowed 'General case' 0 CA--C 1.585 2.298 0 N-CA-C 100.93 -3.73 . . . . 0.0 100.93 166.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.76 -37.51 0.3 Allowed 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 128.883 2.873 . . . . 0.0 114.732 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.82 -34.89 78.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 129.048 2.939 . . . . 0.0 113.341 168.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -87.68 -32.23 19.33 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.208 1.803 . . . . 0.0 110.051 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.254 22.3 mt -57.8 -48.89 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 C-N-CA 127.951 2.5 . . . . 0.0 109.845 167.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.72 -44.8 86.2 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 125.606 1.562 . . . . 0.0 113.971 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -62.12 -34.35 76.18 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 125.594 1.558 . . . . 0.0 115.061 168.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -62.09 -47.05 86.37 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 124.861 1.264 . . . . 0.0 113.842 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -83.32 -36.41 24.46 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 115.401 -2.237 . . . . 0.0 115.68 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -59.09 -37.09 76.31 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 122.737 2.517 . . . . 0.0 116.26 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.1 m -70.75 -40.12 72.89 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 116.025 -1.941 . . . . 0.0 115.919 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 16.7 m -69.0 -43.06 75.62 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 121.253 1.842 . . . . 0.0 113.027 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.19 -52.39 65.77 Favored 'General case' 0 CA--C 1.581 2.151 0 C-N-CA 125.611 1.564 . . . . 0.0 112.704 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -61.05 -40.54 94.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.994 -1.479 . . . . 0.0 114.254 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -53.51 -43.33 68.2 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 125.646 1.578 . . . . 0.0 113.965 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -60.34 -34.61 74.08 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.554 169.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -69.25 -37.43 77.93 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 116.095 -1.907 . . . . 0.0 115.828 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.69 -37.12 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 121.684 2.038 . . . . 0.0 111.496 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.39 -5.9 2.85 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.4 t -131.77 -43.9 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 114.921 -2.466 . . . . 0.0 111.239 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -46.34 75.41 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 123.627 2.922 . . . . 0.0 114.048 173.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.8 t -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.512 2.042 . . . . 0.0 116.512 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.98 -47.3 25.53 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.793 1.637 . . . . 0.0 111.963 169.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -57.08 -30.88 64.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -51.52 -38.18 52.88 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 117.51 -1.233 . . . . 0.0 114.147 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.42 76.71 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 91.3 m -73.82 -56.77 4.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.363 1.438 . . . . 0.0 112.018 174.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -59.9 -35.46 74.91 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.2 t -74.89 -47.3 30.73 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 114.739 -2.553 . . . . 0.0 112.392 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.61 -17.23 7.94 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 122.557 2.435 . . . . 0.0 117.106 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.66 -37.55 73.71 Favored 'General case' 0 CA--C 1.579 2.073 0 CA-C-N 121.528 1.967 . . . . 0.0 114.412 168.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -127.93 7.97 6.17 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.333 3.086 . . . . 0.0 119.333 -167.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.59 -57.35 2.9 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 125.523 1.529 . . . . 0.0 108.44 172.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . 0.253 25.1 ttp180 -70.89 -53.19 16.01 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 129.122 2.969 . . . . 0.0 109.147 168.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.4 p 43.23 43.26 3.93 Favored 'General case' 0 N--CA 1.52 3.036 0 CA-C-O 128.169 3.843 . . . . 0.0 113.509 -167.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.498 1 CA-C-N 104.978 -5.555 . . . . 0.0 113.181 -168.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.568 1.648 0 CA-C-O 116.533 -1.698 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -67.3 -44.79 78.37 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.221 1.828 . . . . 0.0 115.218 -174.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.81 -39.75 26.12 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 116.615 -1.66 . . . . 0.0 114.37 -175.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.2 mtp -67.89 -38.93 83.61 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-O 116.269 -1.824 . . . . 0.0 113.441 169.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.78 -44.46 86.24 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 121.171 1.805 . . . . 0.0 114.332 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.03 -35.24 78.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 120.284 1.402 . . . . 0.0 113.868 169.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.88 -39.76 94.94 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 116.303 -1.808 . . . . 0.0 115.511 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -64.94 -42.7 94.43 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 120.958 1.708 . . . . 0.0 115.596 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.5 -42.86 82.18 Favored 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 126.499 1.92 . . . . 0.0 116.113 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.8 -34.71 72.03 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.18 -45.61 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.837 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.569 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.45 -24.89 58.36 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.06 -43.94 50.47 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 124.415 1.086 . . . . 0.0 111.515 169.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.262 22.6 mt -57.5 -59.27 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 125.713 1.605 . . . . 0.0 109.769 172.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -44.49 -34.41 2.07 Favored 'General case' 0 N--CA 1.51 2.531 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.78 -50.4 68.11 Favored Glycine 0 CA--C 1.555 2.59 0 CA-C-O 118.509 -1.162 . . . . 0.0 114.203 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.97 -33.96 77.28 Favored 'General case' 0 CA--C 1.573 1.851 0 CA-C-O 116.789 -1.577 . . . . 0.0 114.971 168.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.81 -54.66 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.045 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -37.47 71.88 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 172.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -64.62 -34.91 79.37 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 115.982 -1.961 . . . . 0.0 115.648 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.31 -60.92 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.127 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.35 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -24.0 63.89 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 123.224 2.738 . . . . 0.0 118.13 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -75.77 -47.58 25.3 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 117.174 -1.393 . . . . 0.0 111.909 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -67.3 -42.8 83.13 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 116.903 -1.523 . . . . 0.0 114.054 174.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.39 -47.25 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 115.872 -2.013 . . . . 0.0 110.322 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.12 -34.89 68.82 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-N 121.473 1.942 . . . . 0.0 114.826 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -69.67 -31.89 70.21 Favored 'General case' 0 CA--C 1.584 2.261 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.158 168.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.69 -53.44 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.114 0 CA-C-O 116.022 -1.942 . . . . 0.0 110.091 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -62.0 -23.02 66.16 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -77.12 -37.24 54.51 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 120.446 1.475 . . . . 0.0 112.312 168.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -68.13 -56.14 9.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 171.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -49.68 -21.92 1.19 Allowed 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 119.011 2.967 . . . . 0.0 119.011 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.2 m -88.01 -48.91 7.4 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 116.484 -1.722 . . . . 0.0 113.614 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.21 65.04 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.256 35.8 mt -86.1 -32.69 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.441 0 CA-C-O 116.679 -1.629 . . . . 0.0 107.892 175.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.06 -29.5 68.59 Favored 'General case' 0 CA--C 1.601 2.917 0 CA-C-N 122.179 2.263 . . . . 0.0 110.331 165.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -51.2 13.15 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-O 114.988 -2.434 . . . . 0.0 112.228 168.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.3 m -93.25 91.46 0.54 Allowed Pre-proline 0 CA--C 1.575 1.928 0 CA-C-N 122.958 2.617 . . . . 0.0 109.97 167.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -73.46 -12.15 24.82 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 124.315 3.343 . . . . 0.0 112.931 168.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -120.26 80.04 28.06 Favored Pre-proline 0 CA--C 1.588 2.414 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 169.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -95.05 -163.71 0.09 OUTLIER 'Trans proline' 0 CA--C 1.581 2.848 0 C-N-CA 123.692 2.928 . . . . 0.0 113.513 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -79.26 159.08 27.42 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.608 1.163 . . . . 0.0 111.534 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.57 -24.75 8.82 Favored 'General case' 0 N--CA 1.513 2.719 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 171.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -56.05 -35.29 66.74 Favored 'General case' 0 CA--C 1.579 2.065 0 N-CA-C 115.456 1.651 . . . . 0.0 115.456 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.6 p -75.93 -62.9 1.44 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 116.731 -1.604 . . . . 0.0 111.624 -171.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.29 -37.69 52.25 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 116.616 -1.659 . . . . 0.0 114.049 -169.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -49.6 -37.13 26.5 Favored 'General case' 0 N--CA 1.508 2.467 0 CA-C-N 121.078 1.763 . . . . 0.0 115.437 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.42 -29.4 59.72 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 115.814 -2.041 . . . . 0.0 114.919 169.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.61 -41.22 98.33 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-N 121.731 2.06 . . . . 0.0 115.007 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.41 -22.36 63.69 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 116.589 -1.672 . . . . 0.0 113.655 168.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.29 -57.63 3.77 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.435 -2.222 . . . . 0.0 111.828 170.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.42 -30.0 70.91 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.6 mtt -73.81 -55.56 6.07 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 116.578 -1.677 . . . . 0.0 110.674 171.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.6 p -54.15 -30.06 47.78 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 169.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.16 -39.83 78.54 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 116.625 -1.655 . . . . 0.0 114.739 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.13 -41.51 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 CA-C-O 113.885 -2.959 . . . . 0.0 109.934 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -45.08 92.35 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-N 125.073 3.578 . . . . 0.0 114.04 169.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -71.41 -43.95 65.82 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 116.725 -1.607 . . . . 0.0 114.669 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.6 m -71.17 -54.74 9.97 Favored 'General case' 0 CA--C 1.576 1.95 0 CA-C-O 114.824 -2.512 . . . . 0.0 111.12 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.24 -40.49 34.16 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-N 122.324 2.329 . . . . 0.0 115.455 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -71.28 -42.85 68.21 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.138 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -55.09 -35.21 64.36 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 169.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.13 -53.01 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 C-N-CA 126.004 1.722 . . . . 0.0 112.993 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -59.9 -45.08 93.66 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-N 120.596 1.544 . . . . 0.0 113.909 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -65.41 -24.22 67.15 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -81.99 -39.13 24.05 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.54 1.518 . . . . 0.0 112.622 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.352 0.8 OUTLIER -62.91 -48.89 76.98 Favored 'General case' 0 CA--C 1.589 2.456 0 C-N-CA 125.442 1.497 . . . . 0.0 111.719 169.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.264 20.8 tptm -54.41 -35.53 63.0 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.387 -1.446 . . . . 0.0 113.004 167.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -63.39 -20.45 65.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.83 -60.61 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 115.778 -2.058 . . . . 0.0 107.491 168.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.76 0.5 23.42 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -82.81 -25.23 32.9 Favored 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 164.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.7 m -122.05 32.64 5.75 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 120.784 3.624 . . . . 0.0 120.784 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.361 56.9 mt -91.15 82.29 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.985 1 N-CA-C 88.382 -8.377 . . . . 0.0 88.382 162.847 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -24.81 86.73 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.079 2 CA-C-N 104.04 -5.982 . . . . 0.0 109.337 -158.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . 0.312 3.9 tm0? -21.17 73.41 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.987 2 CA-C-O 130.877 5.132 . . . . 0.0 114.579 -158.488 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -125.1 -39.15 2.26 Favored 'General case' 0 CA--C 1.554 1.115 3 CA-C-N 95.944 -9.662 . . . . 0.0 103.864 -169.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -47.64 -52.57 17.6 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 117.068 2.247 . . . . 0.0 117.068 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.38 25.28 13.18 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.746 1.858 . . . . 0.0 117.746 169.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.55 1.03 8.88 Favored 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 126.381 1.872 . . . . 0.0 114.137 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 80.03 90.68 0.05 Allowed 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 128.785 2.834 . . . . 0.0 108.073 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -144.04 150.52 38.34 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.269 1.028 . . . . 0.0 111.027 -172.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.8 t -156.79 111.87 2.84 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 169.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 p -156.38 130.79 8.76 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.633 1.173 . . . . 0.0 108.974 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.11 -44.09 31.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 118.476 2.769 . . . . 0.0 118.476 -176.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -38.31 90.57 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 169.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.46 -29.78 70.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.215 1.406 . . . . 0.0 114.186 169.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -90.01 -38.31 13.71 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.632 1.573 . . . . 0.0 110.065 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.269 49.7 mt -51.18 -47.84 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 C-N-CA 127.645 2.378 . . . . 0.0 110.406 167.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -58.25 -42.76 87.12 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 125.289 1.435 . . . . 0.0 114.684 172.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.42 -30.64 71.05 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 169.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.6 m -63.56 -46.54 85.45 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.249 1.42 . . . . 0.0 113.652 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -71.83 -40.78 68.86 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 116.534 -1.698 . . . . 0.0 114.004 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -60.67 -47.9 84.19 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 120.712 1.596 . . . . 0.0 115.135 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.1 t -69.92 -34.1 73.04 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.0 m -73.76 -46.37 46.06 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.829 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.22 -43.72 87.86 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 120.69 1.586 . . . . 0.0 114.357 169.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.2 t -63.38 -28.38 69.95 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -67.65 -40.95 84.53 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 124.96 1.304 . . . . 0.0 114.021 169.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -72.9 -34.05 66.4 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.06 1.3 . . . . 0.0 112.255 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.74 -42.47 93.26 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 169.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.69 -44.12 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.043 0 CA-C-O 117.127 -1.416 . . . . 0.0 114.216 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -52.54 -35.18 53.01 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.04 1.866 . . . . 0.0 116.04 172.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.7 p -90.43 -54.98 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.126 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.184 174.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.6 tpp -60.86 -42.27 97.52 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 121.292 1.86 . . . . 0.0 114.397 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.0 m -65.71 -27.8 68.6 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 168.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.49 -45.25 55.12 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.332 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.67 -35.2 72.2 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 169.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -54.15 -41.32 68.31 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.888 1.675 . . . . 0.0 115.256 169.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.4 -30.23 19.65 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.429 -2.224 . . . . 0.0 116.241 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.9 m -57.78 -42.3 83.83 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 122.296 2.317 . . . . 0.0 114.572 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.5 -51.09 21.52 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.217 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 m -69.33 -36.1 76.59 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.85 -29.95 68.37 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 115.098 -2.382 . . . . 0.0 113.012 168.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -80.58 28.79 0.32 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.529 1.968 . . . . 0.0 115.269 169.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -134.74 -21.95 1.68 Allowed 'General case' 0 N--CA 1.513 2.691 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 168.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.05 -70.74 0.37 Allowed 'General case' 0 N--CA 1.517 2.889 0 C-N-CA 125.186 1.394 . . . . 0.0 108.966 -177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -92.24 -8.91 43.98 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.913 2.085 . . . . 0.0 108.201 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . 0.299 3.5 t 53.07 53.97 11.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 127.35 3.453 . . . . 0.0 111.762 -164.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? . . . . . 0 CA--C 1.535 0.397 1 CA-C-N 104.306 -5.861 . . . . 0.0 113.043 -168.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -70.43 -36.05 73.75 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.738 2.125 . . . . 0.0 116.738 -176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -59.49 -42.74 92.8 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.53 -42.29 78.69 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 116.426 -1.749 . . . . 0.0 112.679 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.28 -39.3 63.83 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 121.039 1.745 . . . . 0.0 114.711 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.62 -38.46 89.49 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 116.781 -1.58 . . . . 0.0 113.289 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.67 -45.07 95.58 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.455 -1.736 . . . . 0.0 115.217 169.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.33 -37.99 89.44 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 7.5 mt-10 -68.72 -43.97 74.86 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 126.524 1.93 . . . . 0.0 115.483 173.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -73.07 -24.88 60.73 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.75 -50.06 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 CA-C-N 120.946 1.703 . . . . 0.0 113.609 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.7 -30.26 63.27 Favored 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -66.68 -48.41 69.38 Favored 'General case' 0 CA--C 1.577 1.996 0 CA-C-O 117.237 -1.363 . . . . 0.0 112.626 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.266 18.0 mt -54.86 -62.89 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.571 0 C-N-CA 125.06 1.344 . . . . 0.0 108.858 169.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -45.24 -37.21 4.46 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.76 -50.24 69.83 Favored Glycine 0 CA--C 1.556 2.616 0 C-N-CA 124.422 1.01 . . . . 0.0 114.733 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -64.09 -35.84 82.06 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 116.823 -1.56 . . . . 0.0 114.817 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.83 -46.27 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.666 0 CA-C-N 120.712 1.597 . . . . 0.0 110.802 170.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.32 -43.09 92.73 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 169.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -68.15 -22.81 64.84 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -76.16 -66.21 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-O 115.352 -2.261 . . . . 0.0 106.287 169.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.21 17.76 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.56 -43.25 39.77 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 116.845 -1.55 . . . . 0.0 112.199 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -68.81 -46.44 68.64 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 116.571 -1.68 . . . . 0.0 113.503 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.91 -45.93 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 C-N-CA 126.148 1.779 . . . . 0.0 110.846 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.52 -33.34 67.96 Favored 'General case' 0 N--CA 1.508 2.427 0 CA-C-N 120.466 1.485 . . . . 0.0 113.835 168.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -35.11 76.35 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 168.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.01 -49.47 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.04 0 C-N-CA 125.899 1.68 . . . . 0.0 111.593 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.36 -22.88 66.86 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -78.97 -38.54 36.65 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.35 1.432 . . . . 0.0 112.209 168.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -75.13 -46.03 37.1 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 125.619 1.567 . . . . 0.0 114.308 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -64.07 -27.13 68.89 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.3 m -90.47 -39.62 12.5 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 116.215 -1.85 . . . . 0.0 114.001 169.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.29 -30.24 68.28 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.276 25.8 mt -86.45 -28.98 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.573 0 CA-C-O 116.183 -1.865 . . . . 0.0 107.675 169.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.66 -24.23 66.98 Favored 'General case' 0 CA--C 1.593 2.622 0 CA-C-N 122.306 2.321 . . . . 0.0 110.847 164.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.81 -49.13 14.93 Favored 'General case' 0 CA--C 1.567 1.607 0 CA-C-O 114.835 -2.507 . . . . 0.0 110.185 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.8 m -93.65 77.43 0.04 OUTLIER Pre-proline 0 CA--C 1.585 2.299 0 CA-C-N 123.203 2.729 . . . . 0.0 111.441 166.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -63.91 -5.35 8.94 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.492 3.462 . . . . 0.0 116.187 167.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -129.02 78.83 75.68 Favored Pre-proline 0 CA--C 1.595 2.681 0 N-CA-C 104.181 -2.526 . . . . 0.0 104.181 168.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -96.12 -162.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 124.013 3.142 . . . . 0.0 113.86 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.41 153.02 41.64 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.77 1.228 . . . . 0.0 111.956 169.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.65 -24.47 21.78 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -29.86 69.13 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 171.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -64.47 -54.83 26.38 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-O 116.36 -1.781 . . . . 0.0 114.359 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -20.2 33.32 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-O 115.484 -2.198 . . . . 0.0 115.773 176.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.93 -32.28 73.92 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 121.906 2.139 . . . . 0.0 112.752 168.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.01 -33.95 50.93 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 114.434 -2.698 . . . . 0.0 114.674 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.59 -37.8 79.48 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 123.881 3.037 . . . . 0.0 115.446 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.65 -26.49 66.24 Favored 'General case' 0 N--CA 1.505 2.288 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.829 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -73.92 -52.62 12.32 Favored 'General case' 0 CA--C 1.573 1.845 0 CA-C-O 115.712 -2.089 . . . . 0.0 112.667 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.18 -33.6 76.13 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.9 mtt -72.51 -42.2 65.07 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.706 1.594 . . . . 0.0 112.709 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.6 p -62.19 -31.35 71.85 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 168.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -67.36 -47.63 69.84 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.548 1.539 . . . . 0.0 114.428 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.71 -41.66 88.38 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.272 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.063 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -56.28 -53.38 57.88 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 120.819 1.645 . . . . 0.0 113.793 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -69.85 -42.27 73.79 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 116.925 -1.512 . . . . 0.0 114.975 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 46.3 m -73.22 -62.77 1.35 Allowed 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 114.545 -2.645 . . . . 0.0 109.36 173.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.35 -30.25 18.05 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 124.371 3.259 . . . . 0.0 117.465 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -71.4 -46.1 61.09 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.364 168.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -55.84 -36.73 67.85 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 168.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' THR . 38.3 t -82.67 -51.35 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 127.098 2.159 . . . . 0.0 108.808 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -53.33 -40.54 64.92 Favored 'General case' 0 N--CA 1.512 2.653 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.0 m -63.27 -34.4 77.6 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 171.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -73.67 -28.62 61.85 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 120.79 1.632 . . . . 0.0 113.823 169.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -44.99 90.15 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 169.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -61.17 -38.17 85.53 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -58.47 -25.21 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 169.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mm -78.35 -51.08 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-O 116.314 -1.803 . . . . 0.0 109.522 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -61.35 -30.9 70.81 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -61.23 -43.25 99.18 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 116.585 -1.674 . . . . 0.0 115.137 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.2 m -77.91 -32.59 51.79 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 mt -79.36 -53.84 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -51.4 -20.45 1.78 Allowed 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 168.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -81.21 -50.48 9.52 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-O 115.61 -2.138 . . . . 0.0 111.046 169.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.7 -11.01 60.51 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.322 0.5 OUTLIER -75.06 -70.02 0.44 Allowed 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 126.415 1.886 . . . . 0.0 110.756 179.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.13 -9.83 37.39 Favored Glycine 0 CA--C 1.556 2.644 0 N-CA-C 119.313 2.485 . . . . 0.0 119.313 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.263 0.8 OUTLIER -72.64 -50.95 21.68 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 116.271 -1.824 . . . . 0.0 113.293 175.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.1 p30 146.93 93.22 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 129.683 3.193 . . . . 0.0 106.427 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -143.98 146.58 33.02 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.849 0.859 . . . . 0.0 109.903 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.9 p -150.22 91.28 1.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 m -151.52 154.56 36.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.492 1.117 . . . . 0.0 110.887 -170.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.17 86.24 2.98 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 124.603 2.144 . . . . 0.0 108.227 168.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -166.62 -57.75 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 110.681 -2.963 . . . . 0.0 107.831 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -9.87 59.1 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 169.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -90.81 -43.9 9.77 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.865 2.066 . . . . 0.0 109.447 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.256 17.9 mt -55.35 -49.4 73.09 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.518 0 C-N-CA 127.384 2.274 . . . . 0.0 110.667 168.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -59.6 -41.04 89.44 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -63.95 -33.22 75.24 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 168.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.2 m -61.57 -50.08 74.08 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 125.242 1.417 . . . . 0.0 113.437 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -76.47 -37.52 56.76 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 116.353 -1.784 . . . . 0.0 115.002 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.03 -45.62 91.45 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 121.09 1.768 . . . . 0.0 115.689 171.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -68.98 -33.41 73.64 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.0 m -76.44 -45.29 32.02 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 116.846 -1.549 . . . . 0.0 112.216 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.64 -40.61 92.62 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-O 116.533 -1.699 . . . . 0.0 114.972 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.0 p -68.2 -23.34 64.82 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -69.59 -46.84 65.39 Favored 'General case' 0 CA--C 1.575 1.942 0 C-N-CA 125.167 1.387 . . . . 0.0 113.018 169.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.93 -31.0 70.44 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 120.395 1.452 . . . . 0.0 113.072 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.37 -46.5 86.21 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.864 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.13 -43.84 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.365 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.21 -32.37 69.88 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.7 t -88.96 -53.23 9.83 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.263 0 CA-C-O 115.122 -2.371 . . . . 0.0 108.716 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.8 tpp -64.79 -45.59 85.66 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 122.942 2.61 . . . . 0.0 114.18 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.4 m -62.79 -26.54 68.77 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 169.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -79.41 -46.04 18.34 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 117.094 -1.432 . . . . 0.0 112.377 169.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.56 -32.62 69.08 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 169.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.74 -41.47 73.95 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 120.09 1.313 . . . . 0.0 113.852 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.16 -21.85 45.88 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.9 m -60.84 -23.85 65.42 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.85 -49.96 26.91 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 120.731 1.605 . . . . 0.0 113.391 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 t -75.27 -34.32 61.35 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 168.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.97 -8.65 54.7 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 115.828 -2.035 . . . . 0.0 113.214 167.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.19 -26.72 67.53 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 121.448 1.931 . . . . 0.0 113.311 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -151.77 12.82 0.61 Allowed 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 120.017 3.339 . . . . 0.0 120.017 -166.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.68 -40.19 87.04 Favored 'General case' 0 N--CA 1.529 3.485 0 CA-C-O 124.11 1.91 . . . . 0.0 110.256 168.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' A' ' 146' ' ' LYS 0.255 16.7 tpp180 -166.41 -54.52 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 1 N-CA-C 97.375 -5.046 . . . . 0.0 97.375 165.446 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.2 t 69.18 -31.9 0.21 Allowed 'General case' 0 N--CA 1.513 2.713 0 CA-C-N 124.757 3.435 . . . . 0.0 115.322 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 144' ' ' ARG . 53.4 mttp . . . . . 0 N--CA 1.504 2.243 0 C-N-CA 128.9 2.88 . . . . 0.0 111.916 170.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 102.114 -3.291 . . . . 0.0 102.114 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -57.0 -38.47 73.12 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.16 -41.39 18.54 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.638 -1.649 . . . . 0.0 113.924 -174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mtp -67.11 -36.66 82.41 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 116.313 -1.803 . . . . 0.0 113.631 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -61.29 -45.09 95.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 120.882 1.674 . . . . 0.0 114.662 169.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.23 -38.97 81.3 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 120.862 1.665 . . . . 0.0 113.966 169.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.53 -46.52 86.62 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 171.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -68.61 -41.35 79.66 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 116.252 -1.833 . . . . 0.0 115.602 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -66.69 -37.86 85.59 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -66.08 -40.66 91.0 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.98 -50.31 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.722 0 CA-C-O 116.813 -1.565 . . . . 0.0 112.585 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -28.04 64.63 Favored 'General case' 0 N--CA 1.509 2.487 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 172.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.7 -42.89 49.72 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.478 1.111 . . . . 0.0 111.699 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.254 26.6 mm -54.03 -58.19 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.434 0 C-N-CA 126.727 2.011 . . . . 0.0 110.455 171.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -46.39 -33.93 4.26 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.18 -50.82 59.86 Favored Glycine 0 CA--C 1.556 2.631 0 CA-C-O 118.73 -1.039 . . . . 0.0 114.442 168.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.64 -36.69 76.88 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 168.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.23 -49.36 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.697 0 C-N-CA 126.105 1.762 . . . . 0.0 110.37 172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.82 -42.54 79.76 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -63.55 -21.6 66.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 169.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.52 -63.72 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.583 2.224 0 CA-C-O 115.639 -2.124 . . . . 0.0 106.773 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.32 -24.05 6.89 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 119.08 2.993 . . . . 0.0 119.08 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.3 -46.23 42.47 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 116.737 -1.601 . . . . 0.0 112.257 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -69.29 -45.57 69.29 Favored 'General case' 0 CA--C 1.568 1.649 0 CA-C-N 120.837 1.653 . . . . 0.0 113.904 171.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.09 -46.46 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 125.896 1.678 . . . . 0.0 111.025 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.98 -37.62 77.25 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 116.523 -1.703 . . . . 0.0 114.437 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.82 -35.63 80.51 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 120.39 1.45 . . . . 0.0 114.627 169.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.2 t -54.4 -51.01 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.988 0 CA-C-O 117.081 -1.437 . . . . 0.0 110.205 169.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.69 -24.42 67.63 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -77.67 -38.56 47.36 Favored 'General case' 0 N--CA 1.501 2.12 0 CA-C-N 120.212 1.369 . . . . 0.0 112.158 168.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -76.82 -47.94 19.98 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -30.7 68.69 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 118.756 2.873 . . . . 0.0 118.756 -172.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.705 ' HA ' HD12 ' A' ' 62' ' ' LEU . 60.6 m -90.12 -15.38 31.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 175.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.18 -17.62 27.25 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.271 -1.347 . . . . 0.0 114.33 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.04 -36.2 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.419 -169.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -37.86 -43.04 0.65 Allowed 'General case' 0 N--CA 1.534 3.764 0 CA-C-N 124.174 3.17 . . . . 0.0 114.338 168.559 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' H ' HD13 ' A' ' 62' ' ' LEU 0.254 . . -127.25 111.29 13.77 Favored 'General case' 0 N--CA 1.428 -1.558 1 N-CA-C 98.946 -4.464 . . . . 0.0 98.946 169.607 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -91.69 85.75 0.2 Allowed Pre-proline 0 CA--C 1.558 1.273 0 CA-C-N 111.896 -2.411 . . . . 0.0 106.676 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 63' ' ' ALA . 6.1 Cg_endo -75.89 4.44 5.19 Favored 'Trans proline' 0 CA--C 1.582 2.898 0 CA-C-N 123.805 2.395 . . . . 0.0 113.605 168.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -152.82 -53.85 0.02 OUTLIER Pre-proline 0 CA--C 1.59 2.512 0 CA-C-O 112.083 -3.818 . . . . 0.0 109.537 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -72.12 175.8 9.37 Favored 'Trans proline' 0 C--N 1.403 3.409 1 CA-C-N 128.937 4.228 . . . . 0.0 114.354 -172.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -142.21 -162.75 1.46 Allowed 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 125.666 1.586 . . . . 0.0 108.457 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.35 -17.62 5.15 Favored 'General case' 0 N--CA 1.512 2.657 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 169.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -55.99 -45.29 79.04 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 116.977 -1.487 . . . . 0.0 113.569 169.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.7 p -78.29 -34.23 48.93 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 116.301 -1.809 . . . . 0.0 114.571 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.72 -36.97 84.7 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-N 121.083 1.765 . . . . 0.0 114.924 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.87 -35.8 66.89 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.55 -29.59 64.91 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 116.49 -1.719 . . . . 0.0 115.278 169.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.1 mt -62.55 -35.69 80.25 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 121.205 1.821 . . . . 0.0 114.907 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.97 -21.47 66.5 Favored 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 168.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.07 -52.44 8.75 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 114.87 -2.49 . . . . 0.0 112.205 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.46 -35.84 82.25 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 123.428 2.831 . . . . 0.0 117.341 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.2 mtt -70.42 -43.06 70.74 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.127 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -66.74 -27.8 67.91 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 168.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.83 -43.6 75.19 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 171.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.47 -37.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-O 117.073 -1.442 . . . . 0.0 109.986 173.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.39 -49.01 75.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.785 1.634 . . . . 0.0 114.924 169.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -68.82 -46.6 68.19 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 117.296 -1.335 . . . . 0.0 114.234 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -70.83 -58.51 3.55 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 114.826 -2.512 . . . . 0.0 110.189 172.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.04 -35.17 46.28 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 123.458 2.845 . . . . 0.0 115.618 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -69.97 -41.4 74.5 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 122.288 2.313 . . . . 0.0 113.469 169.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -55.82 -36.49 67.53 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.1 t -89.72 -55.78 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.934 1.694 . . . . 0.0 110.065 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . 0.263 20.5 ptt180 -59.21 -45.08 92.05 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.303 1.441 . . . . 0.0 113.225 -172.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -62.56 -19.57 63.81 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 168.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.89 -46.88 12.44 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.649 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.34 -21.37 63.83 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 120.993 1.724 . . . . 0.0 113.44 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.255 15.6 tppt? -59.23 -32.1 69.66 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-O 116.266 -1.826 . . . . 0.0 114.07 168.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -62.67 -24.79 67.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.96 -49.78 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 C-N-CA 126.135 1.774 . . . . 0.0 109.177 170.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.97 -27.43 68.27 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -61.42 -34.51 75.52 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 170.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 104' ' ' GLU . 34.9 t -73.81 -57.0 4.28 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.982 172.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -56.67 -33.89 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.297 0 CA-C-O 113.09 -3.338 . . . . 0.0 109.984 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -15.9 42.17 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 123.488 2.858 . . . . 0.0 115.122 167.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -81.2 -3.18 51.44 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 119.956 1.253 . . . . 0.0 109.993 166.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.678 ' O ' HD22 ' A' ' 106' ' ' LEU 0.392 2.4 pt-20 55.79 57.8 4.94 Favored 'General case' 0 C--O 1.201 -1.491 1 C-N-CA 131.994 4.118 . . . . 0.0 107.016 -168.092 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 99' ' ' SER . 9.6 mt-10 -91.66 87.15 6.21 Favored 'General case' 0 N--CA 1.481 1.123 1 CA-C-O 128.93 4.205 . . . . 0.0 105.493 168.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.74 -21.35 0.91 Allowed Glycine 0 CA--C 1.56 2.859 2 CA-C-N 99.604 -7.998 . . . . 0.0 115.354 -166.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -40.06 -49.13 2.54 Favored 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 175.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.664 ' H ' HD23 ' A' ' 106' ' ' LEU . 18.5 t-20 -140.22 79.91 1.73 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 125.11 1.506 . . . . 0.0 108.017 169.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -152.0 121.93 7.07 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.3 m -135.28 92.44 2.85 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -140.19 1.47 1.81 Allowed 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 119.386 3.106 . . . . 0.0 119.386 -175.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 54.96 -32.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -169.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.76 -41.11 98.05 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 116.492 -1.718 . . . . 0.0 114.37 169.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.02 -28.51 67.79 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -86.88 -37.43 17.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.062 1.745 . . . . 0.0 109.811 -169.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.251 52.2 mt -51.9 -38.84 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.978 0 C-N-CA 127.799 2.439 . . . . 0.0 110.602 166.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -47.34 81.66 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 127.144 2.178 . . . . 0.0 112.498 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -62.54 -33.24 74.52 Favored 'General case' 0 CA--C 1.575 1.928 0 C-N-CA 125.306 1.442 . . . . 0.0 113.814 168.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -63.83 -44.5 93.01 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 124.677 1.191 . . . . 0.0 113.713 170.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.91 -44.94 45.95 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 115.833 -2.032 . . . . 0.0 113.625 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -61.0 -41.8 97.21 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 121.909 2.14 . . . . 0.0 115.888 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -66.86 -35.5 80.16 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 m -73.93 -46.65 42.91 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 120.036 1.289 . . . . 0.0 112.001 169.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.58 -46.06 73.66 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.16 1.784 . . . . 0.0 113.618 169.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.8 m -69.1 -29.63 67.76 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 169.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -61.74 -48.05 82.47 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.462 -1.733 . . . . 0.0 113.58 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -71.56 -24.27 61.9 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.359 169.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -39.07 77.6 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 169.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.18 -44.56 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 C-N-CA 125.202 1.401 . . . . 0.0 109.4 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -56.07 -8.9 0.52 Allowed 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.29 -55.25 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.153 169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.9 mmm -65.41 -41.68 93.37 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 122.405 2.366 . . . . 0.0 114.199 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 61.4 m -61.87 -26.72 68.31 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 121.004 1.729 . . . . 0.0 115.446 168.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.31 -44.83 43.38 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-O 117.109 -1.424 . . . . 0.0 111.47 168.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -57.8 -29.38 64.85 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -65.05 -47.95 75.53 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 117.242 -1.361 . . . . 0.0 114.235 170.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.93 -13.81 62.15 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 168.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 m -71.58 -49.14 43.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 117.117 -1.421 . . . . 0.0 112.602 171.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.1 -48.84 72.24 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.5 m -64.79 -35.68 81.88 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 171.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.48 -15.76 62.84 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 115.218 -2.325 . . . . 0.0 115.422 169.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.86 -46.21 25.47 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 122.178 2.263 . . . . 0.0 113.804 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.8 -26.31 20.63 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -83.69 -60.64 2.06 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 113.688 -3.053 . . . . 0.0 103.088 168.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -93.0 82.19 4.61 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 127.386 3.469 . . . . 0.0 109.082 166.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.4 p -106.03 -38.16 6.4 Favored 'General case' 0 CA--C 1.568 1.657 2 N-CA-C 93.34 -6.541 . . . . 0.0 93.34 162.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--N 1.376 1.758 0 C-N-CA 126.955 2.102 . . . . 0.0 107.352 165.587 . . . . . . . . 0 0 . 1 stop_ save_