data_2bzb_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 2bzb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.39 -48.32 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.926 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.7 mmmt -60.5 -35.53 76.18 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.231 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.61 -41.58 96.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.131 0.491 . . . . 0.0 109.732 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.51 -37.69 83.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.237 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.77 -49.11 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.821 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 31.3 mm-40 -54.16 -52.12 62.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 123.684 0.615 . . . . 0.0 110.698 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -56.98 -48.56 78.12 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.728 0.811 . . . . 0.0 112.41 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.99 -41.52 77.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -58.66 -46.23 87.63 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.332 1.053 . . . . 0.0 109.38 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 47.8 mttm -63.94 -41.37 97.63 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 122.818 0.447 . . . . 0.0 111.77 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.38 -37.37 72.56 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.307 0.575 . . . . 0.0 110.138 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.05 -44.76 62.83 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.5 mt -55.97 -40.54 63.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.2 mt-30 -58.79 -40.13 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.7 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.96 -48.79 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 17.6 t -62.46 -35.3 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-O 121.327 0.584 . . . . 0.0 110.309 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.93 56.27 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.471 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.89 -18.86 65.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 43.4 t-80 -55.63 -45.8 77.5 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.62 30.93 0.02 OUTLIER Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.358 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 57.3 mt -94.77 144.77 25.37 Favored 'General case' 0 CA--C 1.47 -2.127 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' VAL . 26.4 m-20 -86.14 170.74 11.91 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 173.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.674 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.4 m80 -60.49 -36.08 77.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -174.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.3 p-10 -64.65 -37.54 87.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 45.5 mmtm -67.84 -44.49 77.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.253 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 27' ' ' ASP . 60.8 t -60.14 -43.95 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.31 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 67.1 mt -62.52 -45.75 91.57 Favored 'General case' 0 CA--C 1.508 -0.652 0 C-N-CA 122.5 0.32 . . . . 0.0 111.016 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 92.1 mt -64.88 -46.23 82.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.31 -52.5 64.42 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.2 p -60.17 -39.38 86.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.76 -34.46 62.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 8.7 t70 -72.39 -44.14 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.05 -44.54 78.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.505 175.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.58 -37.59 86.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.069 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -71.46 -35.54 70.89 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.102 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.2 -36.86 85.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.578 0.704 . . . . 0.0 109.327 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.6 mt -70.9 -46.98 65.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.573 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.34 -33.9 73.08 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.466 0.307 . . . . 0.0 111.457 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.689 0.757 . . . . 0.0 110.846 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.66 -27.61 25.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.575 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mmm . . . . . 0 C--N 1.304 -1.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.691 -175.804 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -63.82 -36.13 82.9 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.951 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.46 -36.31 75.73 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.009 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.77 -43.97 57.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.521 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.38 -49.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.66 0.6 . . . . 0.0 110.268 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.68 -51.62 68.79 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.722 0.638 . . . . 0.0 111.361 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 43.3 t-20 -59.88 -47.98 83.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.206 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.78 -42.48 95.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.678 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.48 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.4 ttpt -55.51 -48.43 74.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.203 1.001 . . . . 0.0 109.001 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.28 -33.1 71.17 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.464 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 45.9 mt-10 -59.58 -42.55 92.78 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.439 ' O ' HG22 ' B' ' 21' ' ' VAL . 12.7 tp -66.92 -49.41 65.64 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.388 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.1 mt -53.71 -45.56 61.08 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 O-C-N 123.685 0.616 . . . . 0.0 110.615 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.93 -28.69 69.12 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.409 0.443 . . . . 0.0 111.794 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 97.9 mt -78.55 -47.92 16.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.376 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.439 HG22 ' O ' ' B' ' 17' ' ' LEU . 21.5 t -61.04 -38.11 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 121.638 0.733 . . . . 0.0 109.808 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.498 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.104 0.962 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -68.46 -14.4 62.97 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.862 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.77 -25.07 65.43 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.816 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.52 -14.51 0.45 Allowed Glycine 0 CA--C 1.494 -1.277 0 C-N-CA 118.923 -1.608 . . . . 0.0 113.022 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.41 135.53 54.06 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-O 121.845 0.831 . . . . 0.0 112.255 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.545 ' O ' HG22 ' B' ' 31' ' ' VAL . 37.9 m-20 -84.92 176.41 8.48 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.374 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.524 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 75.4 m80 -59.84 -41.13 90.73 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.37 -37.46 83.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.903 0.382 . . . . 0.0 110.07 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 62.6 mmtt -60.21 -44.52 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.556 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.545 HG22 ' O ' ' B' ' 27' ' ' ASP . 38.0 t -63.7 -43.26 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.3 mt -61.09 -47.16 87.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.88 -51.01 68.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.29 -47.06 86.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.508 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.5 p -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -72.25 -36.42 69.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 111.566 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.5 -30.27 47.09 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.389 0.614 . . . . 0.0 109.798 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.56 -46.16 73.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -53.93 -50.56 66.18 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.653 0.739 . . . . 0.0 109.737 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -54.21 -44.99 72.11 Favored 'General case' 0 N--CA 1.425 -1.707 0 C-N-CA 126.517 1.927 . . . . 0.0 111.93 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.23 -39.47 92.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.7 mt -65.3 -54.86 23.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.711 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -49.6 -39.05 34.01 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.827 0.851 . . . . 0.0 111.331 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.22 -51.23 70.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.836 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.68 -31.02 52.25 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 78.0 mtp . . . . . 0 C--N 1.321 -0.638 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 121.822 0.82 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.6 -45.66 86.01 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.684 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -61.93 -36.36 81.16 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 122.859 0.464 . . . . 0.0 111.274 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -59.33 -44.15 92.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.93 -41.21 87.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.877 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.8 mt -57.14 -50.45 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.338 0 O-C-N 123.485 0.491 . . . . 0.0 110.425 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.42 -52.4 64.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 123.694 0.621 . . . . 0.0 111.508 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 20.1 m-80 -59.1 -45.19 91.51 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -70.82 -38.48 73.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.065 0.46 . . . . 0.0 110.148 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -61.74 -47.01 87.17 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 109.662 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 61.2 mtpt -62.43 -40.43 96.55 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.767 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 56.5 mt-10 -58.96 -37.45 76.79 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 123.585 0.553 . . . . 0.0 109.593 175.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.6 tp -69.76 -48.14 60.39 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.842 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.5 mt -54.37 -41.1 51.43 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 O-C-N 123.508 0.505 . . . . 0.0 110.019 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 52.1 mt-30 -58.23 -43.09 87.59 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 123.589 0.556 . . . . 0.0 110.578 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.27 -48.95 68.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 17' ' ' LEU . 16.5 t -64.61 -35.26 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 121.402 0.62 . . . . 0.0 110.571 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.38 60.45 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.261 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.56 -18.58 65.43 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 123.706 0.629 . . . . 0.0 111.685 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -57.47 -53.87 53.2 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.0 42.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.537 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 55.6 mt -102.18 143.97 31.31 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.886 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.702 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 2.7 p-10 -85.77 177.62 7.6 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 176.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.665 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.5 t60 -58.37 -38.21 76.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 123.539 0.524 . . . . 0.0 110.418 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.6 t70 -67.43 -39.48 85.44 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.146 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.702 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 33.3 mmtm -67.9 -43.46 79.23 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.068 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 27' ' ' ASP . 43.5 t -60.54 -39.13 80.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 74.5 mt -64.93 -53.77 41.26 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.454 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 85.9 mt -60.81 -41.89 96.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.722 0.296 . . . . 0.0 111.706 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.76 -47.55 80.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.876 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -66.5 -33.01 74.73 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.897 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' LEU . 97.0 mtt180 -63.91 -57.28 10.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 122.757 0.423 . . . . 0.0 110.868 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.7 t70 -72.96 -33.88 66.16 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.077 -171.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.96 -35.98 69.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.096 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.2 -41.02 90.76 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.6 mtpt -58.63 -43.92 89.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.232 174.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.22 -43.38 98.26 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.512 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.657 ' O ' ' HG3' ' A' ' 46' ' ' MET . 63.0 mt -60.51 -53.24 51.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -56.17 -36.79 68.72 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -56.5 -43.66 79.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.975 0.91 . . . . 0.0 108.691 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -85.83 -28.18 24.63 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.657 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 91.4 mtp . . . . . 0 CA--C 1.496 -1.118 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.436 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 0.2 OUTLIER -64.03 -35.85 82.07 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.83 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.54 -39.6 91.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.989 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.88 -37.61 84.75 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.166 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.37 -49.41 80.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 7' ' ' LYS . 37.8 mt-10 -60.91 -43.81 98.04 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -55.8 -55.3 34.05 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.384 1.073 . . . . 0.0 111.253 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.401 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 16.1 tppt? -65.18 -44.91 86.94 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.369 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.519 ' O ' HG13 ' B' ' 18' ' ' ILE . 25.5 ttpt -57.91 -43.82 86.42 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.679 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.4 mtpm? -63.11 -37.03 85.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 122.406 0.282 . . . . 0.0 111.447 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.47 -41.03 96.6 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.576 0.703 . . . . 0.0 109.879 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.76 -46.37 75.56 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.295 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 14' ' ' LYS . 92.2 mt -54.31 -42.46 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 123.6 0.562 . . . . 0.0 110.111 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.6 mt-30 -63.57 -35.46 80.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.803 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.95 -49.64 35.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.574 ' O ' HD11 ' B' ' 26' ' ' LEU . 23.2 t -58.65 -39.17 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -56.33 -55.77 29.27 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.322 0.649 . . . . 0.0 111.449 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -70.35 -4.33 21.71 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.437 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 30.0 t-80 -65.89 -36.85 84.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.67 6.71 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.607 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.574 HD11 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -64.12 150.71 45.03 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.511 ' O ' HG21 ' B' ' 31' ' ' VAL . 11.2 m-20 -75.42 163.79 27.05 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.506 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.1 m-70 -67.68 -30.53 70.08 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.491 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 2.4 m-20 -68.87 -34.33 75.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 12.3 mmtp -62.74 -41.94 99.43 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.511 HG21 ' O ' ' B' ' 27' ' ' ASP . 44.6 t -61.56 -42.69 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.258 0.551 . . . . 0.0 109.561 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 84.2 mt -65.73 -46.08 80.24 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 70.1 mt -70.45 -39.2 74.44 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.842 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -48.61 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.831 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 24.4 p -60.99 -36.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.437 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.3 mtt180 -70.48 -51.23 30.57 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.022 0.529 . . . . 0.0 111.34 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -64.77 -35.54 81.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.575 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tt -78.15 -31.12 49.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' B' ' 35' ' ' SER . 19.6 t70 -66.71 -41.14 88.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -61.78 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.983 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.62 -44.31 89.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.274 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' B' ' 46' ' ' MET . 45.0 mt -67.01 -51.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -57.65 -30.62 65.54 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.43 -51.58 62.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.077 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -73.21 -32.07 64.56 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 92.4 mmm . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 15.9 mm-40 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.318 0.104 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.71 -45.19 95.01 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.787 0.679 . . . . 0.0 109.289 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -40.42 93.85 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.624 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.15 -35.49 80.62 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.115 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.79 94.8 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.4 -49.97 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -53.85 -52.23 61.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 123.607 0.567 . . . . 0.0 110.622 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -60.71 -43.79 97.37 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.585 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.72 -40.66 84.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.277 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -57.18 -48.68 78.15 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 124.544 1.138 . . . . 0.0 108.587 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -65.44 -35.61 81.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.277 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.27 -46.74 82.8 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.4 0.619 . . . . 0.0 109.528 170.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -45.9 80.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.68 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 14' ' ' LYS . 93.3 mt -55.03 -41.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 123.406 0.442 . . . . 0.0 110.299 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.48 -34.46 77.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.53 -47.86 37.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.639 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.56 ' O ' HD12 ' A' ' 26' ' ' LEU . 18.1 t -61.83 -38.38 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.864 175.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.57 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.001 0.52 . . . . 0.0 111.857 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -66.81 -17.93 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.34 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 46.6 t-80 -59.49 -32.59 70.41 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.54 -9.91 0.23 Allowed Glycine 0 CA--C 1.505 -0.573 0 C-N-CA 119.08 -1.534 . . . . 0.0 113.538 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.0 mp -63.29 147.33 51.37 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.65 0.738 . . . . 0.0 112.557 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' HG21 ' A' ' 31' ' ' VAL . 11.5 t70 -95.07 179.56 5.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 m80 -57.95 -40.5 80.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 124.656 1.182 . . . . 0.0 110.198 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.7 m-20 -74.89 -32.96 61.97 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.27 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.22 -38.97 92.08 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 27' ' ' ASP . 99.3 t -64.7 -43.54 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 79.4 mt -60.51 -53.57 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.726 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.9 mt -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.052 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.12 -52.69 64.25 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.96 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 p -61.14 -36.09 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.604 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.8 mtp180 -66.12 -51.66 55.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.439 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.72 -34.22 75.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 42' ' ' ILE . 27.7 tp -63.39 -49.63 73.07 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.853 0.861 . . . . 0.0 110.578 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.62 -41.25 98.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.499 0.666 . . . . 0.0 109.826 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -59.34 -38.7 81.04 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 125.333 1.453 . . . . 0.0 111.186 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -69.79 -38.72 76.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.338 0.59 . . . . 0.0 109.728 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.658 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.4 mt -68.38 -55.54 15.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.986 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -53.48 -35.11 60.22 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.72 0.408 . . . . 0.0 111.015 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.95 -48.17 80.73 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 123.87 0.731 . . . . 0.0 110.507 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' O ' HD23 ' B' ' 26' ' ' LEU . 45.1 m-85 -82.28 -30.79 30.4 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 50.7 mtp . . . . . 0 C--N 1.312 -1.058 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.443 -0.8 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -32.01 71.48 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.28 -46.24 91.17 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -70.65 -31.87 68.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.0 -52.13 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 34.5 mm-40 -58.65 -48.26 81.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.462 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -58.41 -47.73 82.98 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.869 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -67.6 -39.73 84.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 110.291 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.534 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.5 ttpt -55.11 -51.38 66.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.475 1.11 . . . . 0.0 108.346 174.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.433 ' HB3' ' HZ2' ' B' ' 15' ' ' LYS . 7.7 mtpm? -65.12 -37.61 88.01 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.581 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.31 -45.19 80.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.302 0.573 . . . . 0.0 109.705 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -44.04 73.31 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.335 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.1 mt -57.76 -43.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 O-C-N 123.244 0.34 . . . . 0.0 110.092 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.39 -31.72 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.763 0.316 . . . . 0.0 110.996 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.28 -50.04 36.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.041 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.3 -27.29 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.173 176.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -47.0 65.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.93 -10.64 60.06 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.187 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.6 t-80 -62.85 -34.57 77.64 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.12 41.69 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.206 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 43.8 mt -95.56 148.76 22.17 Favored 'General case' 0 CA--C 1.488 -1.423 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.815 176.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.49 ' O ' HG22 ' B' ' 31' ' ' VAL . 16.4 t70 -74.46 159.92 31.64 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.639 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 m-70 -55.39 -35.68 65.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.882 0.31 . . . . 0.0 111.67 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.974 0.416 . . . . 0.0 110.206 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mmtt -65.69 -44.02 87.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.076 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 27' ' ' ASP . 41.7 t -60.33 -42.67 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.748 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 78.7 mt -63.96 -47.61 79.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.65 -48.69 80.65 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.8 -51.53 67.88 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.113 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -58.92 -41.13 86.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 15.0 ptm180 -73.33 -41.1 63.89 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.608 -178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.84 -31.08 66.14 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.537 0.684 . . . . 0.0 110.045 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.64 -43.34 72.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.909 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.1 -46.91 82.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.22 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.3 mtpp -62.6 -42.44 99.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.529 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.87 -42.32 99.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.925 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.63 ' O ' ' HG3' ' B' ' 46' ' ' MET . 57.7 mt -66.92 -54.65 22.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.155 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.23 -27.48 62.06 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.31 0.644 . . . . 0.0 112.134 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.53 -53.57 49.77 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -74.9 -26.56 59.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.63 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 76.8 mtp . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.789 0.328 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.79 -47.29 69.55 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HD3' ' HE2' ' A' ' 46' ' ' MET . 1.9 mmmt -65.05 -36.38 84.16 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.603 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -59.4 -45.82 90.44 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.54 -36.79 79.3 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.69 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.25 -49.08 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.74 -50.91 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.71 0.632 . . . . 0.0 110.77 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.2 -47.73 84.78 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 123.937 0.895 . . . . 0.0 113.384 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -67.59 -37.87 83.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.99 0.424 . . . . 0.0 110.275 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.553 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.4 ttpt -57.55 -51.58 68.88 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.465 1.106 . . . . 0.0 108.465 173.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -60.64 -38.82 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.27 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 34.8 mm-40 -57.45 -41.61 80.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.288 0.367 . . . . 0.0 110.25 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.85 -45.79 73.6 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 177.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 14' ' ' LYS . 63.0 mt -57.25 -41.91 79.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 O-C-N 123.436 0.46 . . . . 0.0 110.09 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 16.4 mt-30 -59.06 -39.54 82.38 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.747 0.419 . . . . 0.0 110.634 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.8 mt -70.34 -47.95 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.614 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.1 p -67.93 -31.66 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 119.644 -0.823 . . . . 0.0 112.315 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.72 -51.93 66.35 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 122.186 -0.321 . . . . 0.0 111.478 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.18 -19.02 61.11 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.781 0.433 . . . . 0.0 111.813 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.6 t-80 -57.58 -32.85 67.56 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.906 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.05 -0.32 0.7 Allowed Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 119.208 -1.473 . . . . 0.0 113.756 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -63.35 146.72 52.93 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 121.417 0.627 . . . . 0.0 112.599 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 31' ' ' VAL . 5.8 m-20 -85.64 175.78 8.56 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.556 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.9 m-70 -65.64 -38.39 89.22 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.302 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.632 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.5 p-10 -62.9 -39.24 93.92 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.53 -44.05 95.36 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.29 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 27' ' ' ASP . 91.7 t -63.89 -41.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.916 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 85.6 mt -61.73 -50.89 70.62 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.675 0.39 . . . . 0.0 110.975 177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 65.3 mt -63.38 -43.17 98.36 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.33 0.394 . . . . 0.0 111.142 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.26 -54.41 37.65 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.739 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 p -60.44 -41.39 93.94 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.3 ptm180 -69.42 -36.58 76.82 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.58 -38.31 59.22 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.883 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.85 -45.67 91.69 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.404 1.082 . . . . 0.0 110.389 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.3 -44.02 83.73 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.084 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HZ1' ' HB2' ' A' ' 40' ' ' LYS . 10.5 mtmp? -65.82 -42.43 90.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.052 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.48 -42.03 91.17 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 123.667 0.604 . . . . 0.0 111.106 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.66 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.8 mt -67.84 -57.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.03 -29.46 63.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.115 0.566 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -50.15 69.33 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.08 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.75 -32.61 65.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 71.0 mtp . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? . . . . . 0 N--CA 1.44 -0.974 0 CA-C-O 121.028 0.442 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -33.99 77.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -64.47 -42.14 96.1 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.555 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 12' ' ' ASN . 73.7 mmtt -64.36 -38.53 91.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.15 -46.74 95.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.428 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -58.64 -49.35 77.85 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 9' ' ' LYS . 22.1 t-20 -51.29 -53.61 34.04 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 125.532 1.533 . . . . 0.0 112.118 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.97 -40.36 65.36 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.108 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.2 ttpt -57.84 -47.19 83.41 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.342 0.657 . . . . 0.0 109.607 174.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 37.7 mttp -62.4 -38.29 89.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.631 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.56 -39.12 86.84 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.477 0.656 . . . . 0.0 110.391 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.412 ' C ' HD12 ' B' ' 17' ' ' LEU . 1.1 tm? -69.26 -45.48 69.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.673 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.2 mt -54.99 -42.4 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 98.2 mt-30 -58.34 -39.22 78.91 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.958 176.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.46 -49.66 52.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.476 ' O ' HD12 ' B' ' 26' ' ' LEU . 21.7 t -59.49 -39.82 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.305 0.574 . . . . 0.0 110.193 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.39 -46.75 88.84 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.072 0.549 . . . . 0.0 111.927 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.13 -5.36 41.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 111.542 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 52.2 t-80 -72.1 -30.38 65.02 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.253 176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.44 -7.75 0.53 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.201 -1.476 . . . . 0.0 114.142 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 21' ' ' VAL . 11.1 mp -55.07 143.28 27.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.45 ' O ' HG22 ' B' ' 31' ' ' VAL . 15.8 m-20 -73.81 172.12 12.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.996 -1.456 . . . . 0.0 108.31 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.14 -51.58 68.75 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 123.496 0.718 . . . . 0.0 109.543 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.95 -29.07 67.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.469 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -61.46 -41.72 97.67 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.712 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.45 HG22 ' O ' ' B' ' 27' ' ' ASP . 53.2 t -63.85 -38.35 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.56 -53.45 41.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.361 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.02 -44.15 97.84 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.425 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 80.0 t80 -59.82 -52.44 65.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.601 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -60.6 -46.4 90.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.91 -26.68 60.65 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' HZ1' ' B' ' 40' ' ' LYS . 18.5 t70 -78.22 -39.9 39.02 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.092 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 7.0 tt -67.31 -34.85 78.24 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.639 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -56.28 -46.89 79.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.158 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.479 ' HZ1' ' HA ' ' B' ' 37' ' ' ASP . 35.7 mtmm -61.97 -37.49 84.99 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.604 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -66.27 -40.5 90.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.645 ' O ' ' HG3' ' B' ' 46' ' ' MET . 39.9 mt -67.22 -56.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.609 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -52.86 -33.94 52.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.427 0.691 . . . . 0.0 111.569 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -58.59 -48.2 81.72 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.537 0.735 . . . . 0.0 110.356 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.419 ' HB3' HD23 ' A' ' 26' ' ' LEU . 34.9 m-85 -80.4 -27.48 38.11 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.8 mtp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.2 mt-30 . . . . . 0 C--O 1.217 -0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD13 ' HD1' ' B' ' 24' ' ' HIS . 3.1 tm? -57.29 -42.29 81.43 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.257 1.023 . . . . 0.0 110.737 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -66.13 -34.55 78.32 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.096 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.0 mmtt -67.83 -38.54 83.35 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.48 -48.09 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.575 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 76.7 mm-40 -56.49 -50.43 71.79 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.806 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.49 -44.46 95.94 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.335 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -66.05 -43.36 87.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.06 0.457 . . . . 0.0 110.268 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.6 ttpt -56.48 -49.08 75.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -63.99 -38.07 89.75 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.589 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.79 -46.35 84.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.437 0.637 . . . . 0.0 109.509 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.31 -44.91 82.08 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.258 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.7 mt -58.02 -41.02 79.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 O-C-N 123.335 0.397 . . . . 0.0 110.223 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.06 -39.73 93.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.846 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.83 -52.16 58.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.716 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' A' ' 34' ' ' PHE . 10.0 m -61.4 -34.66 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.567 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -63.52 -51.82 63.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.232 0.613 . . . . 0.0 111.253 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.41 -18.62 64.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.981 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.522 ' HD1' HD13 ' B' ' 6' ' ' LEU . 23.4 t60 -63.41 -39.06 93.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.552 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.44 -16.36 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 118.889 -1.624 . . . . 0.0 114.335 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.9 mp -55.21 144.45 24.43 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.51 ' O ' HG21 ' A' ' 31' ' ' VAL . 5.8 m-20 -75.35 168.86 19.19 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.76 -1.564 . . . . 0.0 107.524 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 m80 -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.227 0.537 . . . . 0.0 109.729 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 m-20 -62.94 -34.71 78.05 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.62 -44.52 93.69 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.612 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 27' ' ' ASP . 55.6 t -61.35 -43.57 96.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 123.715 0.635 . . . . 0.0 109.735 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 77.3 mt -61.7 -53.5 55.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.87 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.1 mt -62.95 -41.96 99.67 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.606 0.241 . . . . 0.0 111.066 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 21' ' ' VAL . 75.5 t80 -61.62 -51.25 69.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.261 0.624 . . . . 0.0 111.354 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.5 p -61.14 -35.07 76.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.335 0.397 . . . . 0.0 111.516 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.0 mtp180 -68.29 -51.91 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.389 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.03 -39.01 92.74 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.63 -176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.42 -43.49 85.53 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.288 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.71 -47.67 83.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 7.9 mptt -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.995 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.62 -42.58 99.67 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 109.844 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.8 mt -65.37 -50.8 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.159 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.368 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -57.13 -32.33 66.25 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -60.94 -50.13 74.64 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 123.971 0.908 . . . . 0.0 110.527 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.58 -32.54 41.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 121.116 0.484 . . . . 0.0 112.082 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.527 ' HE3' ' CG ' ' B' ' 24' ' ' HIS . 97.6 mmm . . . . . 0 C--N 1.297 -1.711 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.807 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.522 HD13 ' HD1' ' A' ' 24' ' ' HIS . 3.4 tm? . . . . . 0 N--CA 1.439 -1.001 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -67.0 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.83 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -69.78 -31.86 70.02 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -70.48 -33.79 71.65 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.108 172.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 65.9 mt -58.7 -48.51 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -54.27 -52.78 60.32 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.881 0.738 . . . . 0.0 110.045 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.1 -41.98 93.72 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.396 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.72 -42.22 74.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.549 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.5 ttpt -53.96 -49.42 68.79 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.714 1.206 . . . . 0.0 108.715 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.97 -40.89 97.45 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.707 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.71 -41.53 73.94 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 121.398 0.618 . . . . 0.0 110.395 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.402 HD21 ' O ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -70.93 -42.07 70.33 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.433 -178.29 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.7 mt -58.5 -42.98 85.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.62 -24.52 67.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.05 -53.75 7.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.148 -0.345 . . . . 0.0 111.382 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.72 -34.26 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.439 0.638 . . . . 0.0 111.037 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.97 87.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.31 -10.69 59.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.117 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.527 ' CG ' ' HE3' ' A' ' 46' ' ' MET . 8.9 t60 -68.84 -48.38 63.62 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.77 34.08 0.02 OUTLIER Glycine 0 N--CA 1.434 -1.491 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.385 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.545 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 57.5 mt -90.64 144.41 25.77 Favored 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.755 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.43 ' O ' HG21 ' B' ' 31' ' ' VAL . 3.0 m-20 -70.27 158.74 35.34 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.584 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 47.2 m80 -59.3 -35.63 74.13 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 118.357 0.526 . . . . 0.0 111.192 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.35 -34.42 77.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.451 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 31.6 mmtp -65.82 -46.6 78.02 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.898 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 27' ' ' ASP . 23.2 t -56.92 -43.39 80.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 123.827 0.704 . . . . 0.0 110.182 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 59.1 mt -64.81 -51.93 59.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -38.09 89.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.44 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.36 -51.98 38.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.229 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 45.4 p -57.78 -36.84 72.72 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 7.7 ptm180 -78.4 -35.78 46.65 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.856 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 t70 -78.53 -28.02 46.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.609 0.719 . . . . 0.0 109.525 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 tp -67.05 -43.31 83.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.85 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.13 -43.52 98.76 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 46.8 mtpt -55.76 -48.7 74.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.254 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.0 tt -62.21 -45.55 92.84 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.812 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' B' ' 46' ' ' MET . 52.4 mt -65.88 -48.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.814 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -57.37 -34.4 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.406 0.146 . . . . 0.0 111.168 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 34.9 ttmt -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.256 1.022 . . . . 0.0 110.475 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -77.51 -29.92 52.71 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.3 mmm . . . . . 0 C--N 1.307 -1.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 90.3 mt-30 . . . . . 0 N--CA 1.445 -0.704 0 CA-C-O 121.116 0.484 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.68 -45.84 56.82 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -29.04 68.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.639 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 25.9 t-20 -59.56 -48.54 81.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.722 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.64 -40.63 97.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.06 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.36 -50.15 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.085 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' A' ' 14' ' ' LYS . 75.9 mm-40 -58.05 -52.17 66.65 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.079 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -57.8 -45.46 86.04 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 124.079 0.862 . . . . 0.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -68.54 -46.27 69.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.987 0.423 . . . . 0.0 110.874 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.6 ttpt -58.66 -42.13 87.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.699 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.52 -39.97 92.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.651 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.48 -40.08 74.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.651 0.739 . . . . 0.0 109.172 173.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.77 -47.29 69.61 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.546 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.0 mt -56.92 -40.89 75.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.32 -39.0 91.61 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.687 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.39 -46.8 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.551 ' O ' HD12 ' A' ' 26' ' ' LEU . 89.4 t -57.3 -43.18 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.891 0.377 . . . . 0.0 110.337 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.99 67.2 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.563 0.745 . . . . 0.0 112.014 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -66.59 -18.56 65.43 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' HD1' HD13 ' B' ' 6' ' ' LEU . 19.7 t60 -60.83 -31.55 70.97 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.544 0.212 . . . . 0.0 110.951 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.85 11.42 0.12 Allowed Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 119.356 -1.402 . . . . 0.0 113.745 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.3 mp -75.59 149.39 38.29 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' HG21 ' A' ' 31' ' ' VAL . 5.0 m-20 -87.05 171.04 11.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.526 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 p-80 -56.17 -48.78 75.66 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -63.34 -37.62 87.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.498 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -60.24 -46.04 91.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.531 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 27' ' ' ASP . 57.7 t -61.77 -43.23 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.3 mt -63.0 -50.27 71.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.42 -42.42 98.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.99 -54.74 37.47 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 123.467 0.479 . . . . 0.0 110.83 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -58.97 -41.2 86.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -74.35 -35.07 63.57 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.106 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.03 -32.23 61.52 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.05 -46.53 80.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.214 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.54 -42.7 97.07 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -61.91 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.073 1.349 . . . . 0.0 112.111 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 5.1 tt -60.43 -40.38 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.432 HD13 ' HD3' ' A' ' 14' ' ' LYS . 87.0 mt -73.98 -43.57 52.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.44 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -57.72 -29.22 64.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.975 0.51 . . . . 0.0 110.617 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 35.6 ttmt -62.45 -49.2 76.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.193 0.997 . . . . 0.0 110.029 176.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD23 ' B' ' 26' ' ' LEU . 73.0 m-85 -83.32 -29.96 27.89 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm . . . . . 0 C--N 1.312 -1.054 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.57 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.454 HD13 ' HD1' ' A' ' 24' ' ' HIS . 3.0 tm? . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -67.08 -27.85 67.7 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.255 179.284 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -74.27 -34.11 63.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -65.26 -38.56 90.68 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.32 -49.84 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.781 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 17.0 mm-40 -52.1 -53.88 37.16 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 123.28 0.632 . . . . 0.0 109.989 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.69 -47.62 79.47 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.389 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.8 -39.01 84.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 110.12 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.42 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -57.36 -47.82 80.62 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.277 1.031 . . . . 0.0 108.372 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -65.86 -41.71 91.3 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.634 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.42 -42.73 74.56 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.301 0.572 . . . . 0.0 109.509 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.432 ' O ' HG22 ' B' ' 21' ' ' VAL . 19.7 tp -68.24 -46.28 70.95 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.748 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.8 mt -53.89 -43.64 57.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 123.623 0.577 . . . . 0.0 110.288 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 24.0 mt-30 -56.45 -42.51 78.28 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.769 0.668 . . . . 0.0 110.764 176.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.16 -49.76 53.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.648 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.5 t -62.41 -36.23 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-O 121.375 0.607 . . . . 0.0 110.296 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.88 -48.06 80.64 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.503 0.721 . . . . 0.0 111.763 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.31 -13.13 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 37.6 t-80 -60.28 -31.92 70.7 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.384 0.427 . . . . 0.0 110.312 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.58 -6.29 0.39 Allowed Glycine 0 CA--C 1.492 -1.403 0 C-N-CA 118.859 -1.639 . . . . 0.0 113.489 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.462 HD12 ' O ' ' B' ' 21' ' ' VAL . 10.9 mp -56.52 140.12 47.29 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.9 0.857 . . . . 0.0 112.917 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.523 ' O ' HG22 ' B' ' 31' ' ' VAL . 4.9 m-20 -72.33 167.13 21.09 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.005 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.418 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 44.7 m80 -62.94 -35.96 81.85 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 120.957 0.408 . . . . 0.0 109.948 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.62 -41.48 98.29 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.279 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -61.9 -38.33 87.96 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.17 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 27' ' ' ASP . 43.1 t -64.71 -42.37 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 91.9 mt -60.27 -52.79 63.76 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.816 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.72 -44.93 86.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.884 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.61 -49.81 75.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.8 p -60.81 -38.88 86.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.35 -38.58 55.65 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.79 -43.62 88.21 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.08 -42.56 76.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.882 -1.508 . . . . 0.0 111.649 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.67 -42.39 96.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.611 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.39 -35.56 77.87 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.499 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.18 -40.4 97.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.203 0.525 . . . . 0.0 109.726 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' B' ' 46' ' ' MET . 60.4 mt -69.7 -45.74 76.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.243 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -56.71 -34.82 67.83 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.896 0.478 . . . . 0.0 111.011 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -60.04 -55.11 38.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.885 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD23 ' A' ' 26' ' ' LEU . 62.6 m-85 -76.6 -24.78 53.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 13.4 mmt . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 76.7 mt-30 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.623 0.249 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' B' ' 24' ' ' HIS . 2.3 tm? -64.57 -44.06 91.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 172.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 2.7 mmmt -58.97 -44.74 91.57 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.978 176.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.75 -34.78 76.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.894 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.3 mttm -66.66 -41.98 87.32 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.07 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.57 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 23.6 mm-40 -55.57 -52.39 63.91 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 123.836 0.71 . . . . 0.0 110.341 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.72 -49.19 73.71 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.777 0.673 . . . . 0.0 111.708 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -67.39 -42.15 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.283 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -55.62 -49.54 72.54 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.773 1.229 . . . . 0.0 108.839 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.3 mtpp -63.73 -40.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.833 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -55.19 -42.86 73.8 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.461 0.648 . . . . 0.0 109.73 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.0 69.54 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.78 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.3 mt -58.64 -41.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.22 -33.21 74.13 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.472 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.8 mt -69.96 -52.22 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.647 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.8 m -62.22 -30.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.623 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -49.96 67.74 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.353 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -66.01 -18.33 65.27 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.063 0.458 . . . . 0.0 111.94 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.647 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -55.86 -38.99 70.85 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.137 171.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.98 35.69 0.17 Allowed Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 120.178 -1.011 . . . . 0.0 112.937 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 39.0 mt -89.95 151.71 21.57 Favored 'General case' 0 CA--C 1.484 -1.559 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.176 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 31' ' ' VAL . 6.8 m-20 -76.75 167.22 22.22 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.648 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -59.61 -40.59 88.02 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.97 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 72.1 mmtt -62.55 -49.4 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 27' ' ' ASP . 70.5 t -58.76 -45.01 91.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 123.67 0.606 . . . . 0.0 110.071 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 80.0 mt -65.71 -52.84 48.09 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.66 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -40.74 91.43 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.427 -0.109 . . . . 0.0 111.054 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -61.92 -52.77 62.72 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.595 0.559 . . . . 0.0 111.005 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.0 p -61.68 -35.14 77.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.7 mtp180 -66.9 -46.74 73.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.32 0.387 . . . . 0.0 110.571 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.05 -31.6 62.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.113 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 42' ' ' ILE . 21.8 tp -63.62 -47.06 82.92 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.59 0.756 . . . . 0.0 110.122 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -55.4 -50.49 69.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.922 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -62.32 -39.28 92.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.211 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 40.8 tp -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.037 0.535 . . . . 0.0 111.53 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.7 mt -68.28 -51.67 45.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -54.3 -33.06 57.92 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.982 0.913 . . . . 0.0 111.144 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 40.3 ttmt -57.44 -47.24 82.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.171 0.988 . . . . 0.0 109.954 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -82.22 -33.63 29.24 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.165 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.7 mtp . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.283 0.563 . . . . 0.0 109.753 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.3 OUTLIER -63.96 -32.94 74.65 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.742 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -59.29 -45.97 89.83 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 124.076 0.95 . . . . 0.0 109.638 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.56 -34.16 75.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.407 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.94 -47.7 91.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 19.7 mm-40 -55.82 -49.26 73.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.83 -52.44 62.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.468 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -69.8 -40.57 75.88 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.463 -174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.571 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -54.26 -50.42 67.27 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 124.363 1.065 . . . . 0.0 108.365 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.9 mtpm? -64.12 -40.23 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.16 -41.48 79.29 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.408 0.623 . . . . 0.0 109.862 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.25 -43.6 66.93 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.459 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.7 mt -55.47 -42.83 69.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 96.4 mt-30 -62.59 -35.15 78.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.944 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 83.1 mt -72.34 -47.45 49.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.119 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 25.3 t -60.26 -37.38 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.325 0.583 . . . . 0.0 110.233 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.31 -48.89 77.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.403 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 14.5 ptm180 -73.38 -7.43 51.65 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.043 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.8 t60 -64.11 -40.49 96.32 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.21 0.03 OUTLIER Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.7 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.503 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 22.7 mt -95.99 143.77 26.87 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-O 121.239 0.542 . . . . 0.0 112.042 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.03 162.94 28.73 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 172.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.593 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 90.1 m-70 -60.06 -34.14 73.02 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.971 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.463 ' O ' HD11 ' B' ' 33' ' ' LEU . 4.7 p-10 -64.96 -38.03 89.61 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.503 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.9 mmtm -62.54 -45.19 94.1 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.39 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.5 -41.45 87.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 O-C-N 123.529 0.518 . . . . 0.0 110.09 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 73.0 mt -65.13 -49.53 69.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.199 0.523 . . . . 0.0 110.48 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.463 HD11 ' O ' ' B' ' 29' ' ' ASP . 9.0 mp -65.07 -37.43 87.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.51 -48.59 63.99 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -59.31 -42.68 91.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.52 -26.13 59.79 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 6.2 t70 -80.72 -40.66 24.9 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -62.1 -45.05 95.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.327 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.82 -41.38 86.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.2 0.524 . . . . 0.0 110.089 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 4.7 ttmp? -62.06 -46.43 89.16 Favored 'General case' 0 N--CA 1.407 -2.596 0 C-N-CA 124.624 1.169 . . . . 0.0 111.106 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.35 -38.32 90.61 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.157 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.6 mt -68.17 -54.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.44 -33.04 58.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.903 0.481 . . . . 0.0 111.614 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -59.13 -55.45 34.86 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 109.474 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.406 ' O ' HD23 ' A' ' 26' ' ' LEU . 41.0 m-85 -75.31 -27.88 59.47 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 27.4 mtp . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 18.1 pt20 . . . . . 0 C--O 1.221 -0.397 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 HD13 ' HD1' ' B' ' 24' ' ' HIS . 3.1 tm? -72.32 -44.38 62.78 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -66.13 -31.18 71.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -66.15 -43.2 87.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -59.99 -43.22 95.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.977 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.8 mt -55.27 -46.9 78.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 O-C-N 123.749 0.655 . . . . 0.0 110.139 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 25.5 mm-40 -56.74 -53.34 58.89 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.241 0.338 . . . . 0.0 111.253 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 37.4 m-80 -58.55 -49.52 77.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 O-C-N 123.997 0.811 . . . . 0.0 111.533 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD3' ' HD2' ' B' ' 13' ' ' LYS . 11.1 tppt? -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.986 -176.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.7 ttpt -55.65 -52.3 64.29 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 125.112 1.365 . . . . 0.0 108.841 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD13 ' A' ' 18' ' ' ILE . 81.2 mttt -63.47 -38.98 93.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.706 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 48.3 mt-10 -57.27 -44.21 83.77 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.461 0.648 . . . . 0.0 109.702 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -41.53 74.29 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.289 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.6 mt -57.8 -42.02 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.48 -33.25 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.701 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 10' ' ' ILE . 86.3 mt -71.35 -48.86 47.65 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.505 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' HD12 ' A' ' 26' ' ' LEU . 16.6 m -63.52 -32.36 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.362 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.77 66.49 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.772 0.429 . . . . 0.0 111.504 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.4 -19.0 65.23 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.114 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 45.5 t-80 -59.65 -34.48 72.87 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.735 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.12 -5.12 0.46 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.302 -1.428 . . . . 0.0 114.041 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.2 mp -57.04 145.11 31.69 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' HG21 ' A' ' 31' ' ' VAL . 14.0 m-20 -79.99 170.34 16.6 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 29.3 t-80 -60.79 -40.72 93.68 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.87 -43.24 85.86 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -62.57 -43.13 99.59 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.911 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 27' ' ' ASP . 58.9 t -62.7 -40.49 88.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 123.605 0.566 . . . . 0.0 109.871 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.2 mt -64.72 -53.3 49.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.64 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.13 -43.53 91.99 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.988 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.85 -52.13 65.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 p -63.89 -34.93 79.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 20.7 mtp180 -60.8 -55.11 36.95 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.97 -40.53 91.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.515 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -47.0 87.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.74 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.75 -46.21 90.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.193 0.52 . . . . 0.0 109.746 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.9 -36.8 80.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.731 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.198 0.523 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' MET . 73.0 mt -67.33 -45.16 86.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.331 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.74 -35.59 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.199 0.523 . . . . 0.0 110.646 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.25 -46.47 86.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.132 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.85 -26.08 49.13 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 14.9 mmt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.408 ' HG2' ' HE2' ' B' ' 46' ' ' MET . 0.0 OUTLIER -67.0 -30.57 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.343 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -67.79 -42.37 81.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -70.09 -31.19 68.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 20' ' ' LEU . 54.2 mt -60.55 -47.05 94.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.51 -52.83 60.74 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.876 0.735 . . . . 0.0 109.733 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.5 -49.72 69.51 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.672 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 1.5 tppp? -66.97 -39.34 87.2 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.517 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.9 ttpt -59.88 -45.68 91.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.751 0.821 . . . . 0.0 109.351 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 85.2 mttt -64.95 -38.87 92.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.958 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -55.86 -41.74 74.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.611 0.719 . . . . 0.0 109.383 172.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.4 ' C ' HD12 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -68.43 -44.39 75.06 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.437 -179.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 14' ' ' LYS . 79.8 mt -57.76 -40.16 74.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 53.0 mt-30 -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.047 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.6 mp -59.96 -54.14 49.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.3 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.4 HG12 ' HE1' ' A' ' 46' ' ' MET . 46.3 t -58.2 -38.48 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-O 121.322 0.582 . . . . 0.0 111.088 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.62 67.86 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.736 0.814 . . . . 0.0 112.312 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 16.2 ptm180 -73.25 -11.25 60.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.702 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.406 ' HD1' HD13 ' A' ' 6' ' ' LEU . 15.5 t60 -64.19 -57.61 9.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.46 0.05 OUTLIER Glycine 0 N--CA 1.426 -1.991 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.783 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.436 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 45.3 mt -102.33 155.91 17.93 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.284 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.503 ' O ' HG21 ' B' ' 31' ' ' VAL . 18.4 m-20 -97.68 171.19 8.5 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.564 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 28.0 t60 -57.47 -38.01 73.81 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.46 0.475 . . . . 0.0 111.663 -173.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.1 -40.7 96.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 111.01 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.436 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.0 mmtt -64.8 -43.38 93.37 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.503 HG21 ' O ' ' B' ' 27' ' ' ASP . 38.2 t -58.61 -43.8 88.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.539 0.524 . . . . 0.0 110.202 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 60.8 mt -65.15 -48.49 73.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.264 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.37 -41.03 90.03 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.053 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.31 -54.44 36.98 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 123.758 0.661 . . . . 0.0 110.897 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 38.4 p -57.74 -39.99 78.64 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -78.78 -30.42 45.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.771 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.8 t70 -74.43 -37.55 63.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.86 -47.82 84.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.344 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.28 -42.24 81.26 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.88 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 14.0 pttm -65.95 -39.74 90.72 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.741 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.94 -37.61 88.22 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.376 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.0 mt -70.55 -54.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.782 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -53.94 -37.52 63.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.151 0.58 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -58.87 -48.39 81.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.716 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.401 ' HB3' HD23 ' A' ' 26' ' ' LEU . 41.4 m-85 -78.84 -29.51 44.68 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.9 mtp . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 121.081 0.467 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -71.1 -46.08 62.45 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 8.1 mmmt -62.1 -35.35 78.42 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.478 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -60.66 -47.0 88.21 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 123.67 0.606 . . . . 0.0 110.573 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.07 -40.44 95.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.85 -52.72 58.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.863 0.727 . . . . 0.0 110.458 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 17.1 mm-40 -54.39 -49.45 69.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 124.929 1.291 . . . . 0.0 111.461 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.67 -40.62 72.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.843 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 18' ' ' ILE . 29.4 ttpt -58.31 -44.46 88.59 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.244 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' HD11 ' A' ' 18' ' ' ILE . 58.1 mtpt -64.21 -41.28 97.11 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.649 0.78 . . . . 0.0 111.808 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.2 -42.3 81.03 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.773 0.67 . . . . 0.0 109.741 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 21' ' ' VAL . 19.9 tp -65.15 -46.49 80.68 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.233 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -53.67 -42.79 52.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 123.807 0.692 . . . . 0.0 110.224 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -61.34 -34.97 76.15 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.673 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.61 -47.68 30.89 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.364 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' O ' HD12 ' A' ' 26' ' ' LEU . 23.1 t -62.25 -34.54 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.24 0.543 . . . . 0.0 109.865 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.71 -51.98 65.07 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.165 0.586 . . . . 0.0 111.755 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -64.82 -17.87 64.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 33.7 t-80 -57.17 -34.6 68.63 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.457 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.57 -15.0 0.25 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.85 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.5 mp -57.1 146.98 25.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 31' ' ' VAL . 11.3 t70 -95.2 176.72 6.11 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.574 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 t-80 -58.91 -37.85 77.57 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 123.189 0.596 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.32 -38.29 90.5 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.321 0.582 . . . . 0.0 110.115 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -72.4 -37.74 68.62 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.652 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 27' ' ' ASP . 83.5 t -66.6 -39.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 94.6 mt -63.25 -53.86 46.37 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.226 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.04 -42.03 97.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.414 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -65.02 -49.53 69.83 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.2 p -61.66 -33.74 74.49 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.6 mtp180 -71.05 -52.93 16.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.669 0.271 . . . . 0.0 110.725 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.99 -42.82 99.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.056 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 42' ' ' ILE . 29.5 tp -61.57 -43.69 98.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.702 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.96 -46.95 87.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.473 0.654 . . . . 0.0 109.355 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.365 -1.288 . . . . 0.0 111.56 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.16 -43.94 92.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.818 0.447 . . . . 0.0 111.642 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.2 mt -65.37 -57.02 12.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.017 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.54 -28.76 63.81 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.781 0.832 . . . . 0.0 111.857 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.79 -44.42 93.39 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.686 0.794 . . . . 0.0 109.924 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -77.96 -35.19 50.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.812 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 61.5 mtp . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -61.41 -35.59 77.95 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.6 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -65.38 -37.84 88.21 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 122.887 0.475 . . . . 0.0 109.777 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -64.52 -47.18 79.84 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.72 -50.98 64.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 O-C-N 124.227 0.954 . . . . 0.0 109.592 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.3 mm-40 -53.87 -62.29 1.75 Allowed 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 123.667 0.604 . . . . 0.0 111.602 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 8.8 t30 -54.45 -43.73 71.89 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 124.106 0.879 . . . . 0.0 111.811 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -65.95 -47.31 75.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.234 0.54 . . . . 0.0 111.14 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.541 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.5 ttpt -58.5 -44.18 89.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.608 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 92.1 mttt -65.48 -41.05 93.75 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.055 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.0 mt-10 -55.61 -39.74 71.18 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 173.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.477 ' O ' HG22 ' B' ' 21' ' ' VAL . 14.5 tp -68.59 -47.28 67.13 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.616 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 14' ' ' LYS . 82.3 mt -54.63 -42.93 63.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 123.563 0.54 . . . . 0.0 109.735 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.3 mt-30 -57.31 -39.17 75.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.987 176.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 93.5 mt -72.62 -46.83 52.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 17' ' ' LEU . 17.4 t -62.05 -36.56 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 121.575 0.702 . . . . 0.0 109.631 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.18 85.33 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.638 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 10.9 ptm180 -74.57 -6.1 46.64 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -69.91 -37.24 75.9 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.32 44.21 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.939 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.945 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 25.7 mt -99.8 142.87 30.71 Favored 'General case' 0 CA--C 1.479 -1.76 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.256 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.505 ' O ' HG22 ' B' ' 31' ' ' VAL . 2.1 m-20 -69.79 159.58 33.31 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.65 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 34.9 m-70 -64.07 -30.46 71.53 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.349 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.2 -38.84 92.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.633 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.51 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 33.4 mmtp -63.31 -48.25 78.84 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 27' ' ' ASP . 28.5 t -57.76 -43.47 84.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 123.489 0.716 . . . . 0.0 110.07 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 65.4 mt -61.75 -53.74 51.95 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 122.446 0.299 . . . . 0.0 111.285 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.07 -42.22 98.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.523 0.514 . . . . 0.0 110.888 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.4 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 66.1 t80 -63.63 -54.23 39.06 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.117 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 43.1 p -59.47 -41.76 90.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 18.0 ptm180 -69.61 -37.12 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.841 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.6 -31.02 36.82 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 119.466 -0.894 . . . . 0.0 110.073 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.1 -47.34 83.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.864 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.78 -41.21 90.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.447 0.641 . . . . 0.0 109.447 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -63.05 -46.87 85.48 Favored 'General case' 0 N--CA 1.414 -2.245 0 C-N-CA 124.529 1.132 . . . . 0.0 110.328 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.79 -39.73 81.97 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.414 0.686 . . . . 0.0 110.437 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.685 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.0 mt -67.11 -54.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.527 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -51.42 -36.65 44.7 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.133 0.573 . . . . 0.0 111.859 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.61 -53.02 62.43 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.073 0.949 . . . . 0.0 109.636 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD23 ' A' ' 26' ' ' LEU . 43.8 m-85 -75.58 -26.78 58.21 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.685 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.1 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.572 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 10.8 pt20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.261 0.553 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.71 -45.4 52.46 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -30.48 71.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.011 177.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.572 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 9.8 t-20 -58.48 -50.31 74.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.359 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.39 -37.78 80.69 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.426 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.52 -51.72 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.01 -52.35 65.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 123.251 0.344 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -60.31 -44.48 95.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -70.48 -38.51 74.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.925 0.393 . . . . 0.0 110.706 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HD3' HD11 ' A' ' 42' ' ' ILE . 33.9 ttpt -61.15 -43.77 98.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.543 175.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 60.2 mtpt -68.77 -34.71 76.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 48.5 mt-10 -58.43 -42.61 87.67 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -67.18 -43.84 81.18 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 15' ' ' LYS . 90.5 mt -55.53 -40.25 57.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.307 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 77.2 mt-30 -57.54 -43.98 84.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.433 0.458 . . . . 0.0 110.811 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HB3' HG12 ' B' ' 10' ' ' ILE . 3.1 mm? -62.3 -52.41 63.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.31 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 1.6 m -65.91 -31.39 53.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.366 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -67.32 -48.35 67.83 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 122.147 -0.346 . . . . 0.0 111.6 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -64.95 -19.12 65.8 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.719 0.295 . . . . 0.0 111.156 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.0 t-80 -55.39 -42.99 74.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.517 0.727 . . . . 0.0 110.584 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -8.19 0.2 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.649 -1.262 . . . . 0.0 113.503 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -56.65 141.67 42.74 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' HG21 ' A' ' 31' ' ' VAL . 13.3 m-20 -77.61 163.78 25.93 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.552 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.7 m80 -60.03 -34.8 73.87 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 t70 -56.76 -44.5 81.85 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.58 1.152 . . . . 0.0 110.327 175.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -68.03 -38.52 82.64 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 27' ' ' ASP . 84.7 t -64.87 -38.93 84.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.866 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 92.8 mt -63.51 -47.33 82.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.006 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 48.2 mt -69.43 -38.34 77.83 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.52 -52.38 53.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -59.5 -39.18 82.96 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -74.46 -38.08 63.06 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 44.5 t0 -69.21 -38.69 78.7 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.987 0.898 . . . . 0.0 109.139 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.9 tp -67.02 -42.04 85.58 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.516 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.09 -41.9 99.5 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.254 0.549 . . . . 0.0 110.102 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 20.4 pttp -70.52 -32.53 70.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.887 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 49.6 tp -67.97 -36.84 80.74 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' ' HG3' ' A' ' 46' ' ' MET . 70.9 mt -73.5 -51.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.178 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.33 -31.93 55.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.872 0.469 . . . . 0.0 111.775 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 39.2 ttmt -57.72 -48.77 78.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.119 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.414 ' HB3' HD23 ' B' ' 26' ' ' LEU . 38.1 m-85 -80.56 -27.99 37.36 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.311 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.653 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 82.5 mtp . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.895 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -62.76 -36.31 82.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.543 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -76.39 -20.39 57.18 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.222 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -75.24 -35.99 61.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.495 HG12 ' HB3' ' A' ' 20' ' ' LEU . 82.3 mt -61.06 -48.43 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.856 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 65.9 mm-40 -54.36 -51.39 64.94 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.567 0.542 . . . . 0.0 109.774 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.75 -53.72 53.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.391 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -65.37 -41.07 94.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.563 ' O ' HG13 ' B' ' 18' ' ' ILE . 31.3 ttpt -58.04 -45.06 87.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 64.1 mtpt -64.83 -39.27 93.3 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.73 -37.68 79.6 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.204 0.526 . . . . 0.0 109.592 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.422 ' O ' HG21 ' B' ' 21' ' ' VAL . 16.1 tp -69.74 -47.3 63.54 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.498 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.4 mt -53.66 -44.11 56.95 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 123.576 0.547 . . . . 0.0 110.001 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.676 0.61 . . . . 0.0 111.531 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.5 mt -78.48 -45.81 21.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 21.4 t -60.96 -35.87 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.65 -51.46 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -75.32 2.6 10.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 36.6 t-80 -73.6 -29.53 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.29 0.98 0.41 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.056 -1.069 . . . . 0.0 112.317 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -73.06 136.74 45.01 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-O 121.952 0.882 . . . . 0.0 112.429 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.534 ' O ' HG21 ' B' ' 31' ' ' VAL . 20.6 m-20 -79.83 166.02 22.14 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.577 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 82.9 m-70 -64.36 -26.49 68.49 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 118.721 0.691 . . . . 0.0 112.276 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.81 -43.79 92.02 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 18.0 mmtp -61.15 -40.27 93.21 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.88 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.534 HG21 ' O ' ' B' ' 27' ' ' ASP . 57.6 t -62.91 -43.38 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 123.019 0.527 . . . . 0.0 110.155 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.3 mt -62.1 -50.1 73.3 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.902 0.481 . . . . 0.0 110.409 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.13 -40.93 97.58 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -66.78 -52.61 42.1 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.001 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.9 p -59.36 -39.18 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 17.5 ptm180 -70.76 -40.66 72.55 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.99 -37.75 66.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.41 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.84 -46.12 90.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.099 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.68 -39.47 88.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.078 0.466 . . . . 0.0 110.145 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.57 -31.98 65.66 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.462 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.5 tt -62.94 -43.62 98.31 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.8 mt -67.58 -51.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.775 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -56.03 -32.75 64.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -55.6 -38.62 69.66 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 124.334 1.054 . . . . 0.0 109.717 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' HD23 ' A' ' 26' ' ' LEU . 36.6 m-85 -94.66 -31.36 13.87 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.1 mtp . . . . . 0 C--N 1.308 -1.202 0 CA-C-O 121.255 0.55 . . . . 0.0 109.813 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.87 -44.6 76.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.251 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -30.29 70.07 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.065 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -63.65 -41.64 98.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.1 -46.0 92.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.789 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.4 -53.55 44.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.588 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -56.24 -53.42 57.39 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.553 0.533 . . . . 0.0 110.921 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -56.71 -49.87 73.87 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 123.907 0.754 . . . . 0.0 112.742 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.62 -35.03 76.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.385 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.5 ttpt -59.63 -48.56 81.19 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 123.92 0.888 . . . . 0.0 109.173 173.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.04 -41.54 90.73 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.256 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -57.56 -38.17 74.35 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.535 0.522 . . . . 0.0 109.913 173.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 21' ' ' VAL . 15.7 tp -67.65 -47.08 70.56 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.448 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.7 mt -55.12 -42.91 67.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 O-C-N 123.741 0.651 . . . . 0.0 110.184 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -57.71 -42.78 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.653 0.596 . . . . 0.0 110.904 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.79 -48.03 64.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.622 ' O ' HD12 ' A' ' 26' ' ' LEU . 23.7 t -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.08 0.467 . . . . 0.0 110.134 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.83 -52.44 64.14 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.426 0.69 . . . . 0.0 112.528 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.43 -19.15 65.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.12 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.9 t-80 -55.0 -33.93 63.01 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.464 0.706 . . . . 0.0 110.969 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.0 3.93 0.17 Allowed Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 119.215 -1.469 . . . . 0.0 113.197 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.8 mp -69.55 144.62 53.04 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 121.726 0.774 . . . . 0.0 112.059 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.53 ' O ' HG21 ' A' ' 31' ' ' VAL . 13.3 m-20 -83.4 169.51 15.49 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.022 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.586 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -57.65 -43.78 85.19 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.386 0.429 . . . . 0.0 110.46 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.9 t70 -63.56 -37.88 89.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.757 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.56 -41.78 96.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.631 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 27' ' ' ASP . 46.3 t -62.09 -41.7 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.6 mt -62.18 -50.09 73.22 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.597 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 78.1 mt -59.28 -48.88 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.51 0.506 . . . . 0.0 110.313 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.14 -52.41 64.98 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.28 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -60.78 -42.81 98.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.8 ptm180 -72.53 -34.14 67.36 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.539 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 5.0 t70 -78.29 -36.78 46.14 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.804 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.727 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.08 -44.53 87.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.954 0.407 . . . . 0.0 110.339 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 37' ' ' ASP . 54.0 mtmt -64.51 -42.11 96.01 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.709 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.61 -43.19 84.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 123.629 0.581 . . . . 0.0 111.345 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.717 ' O ' ' HG3' ' A' ' 46' ' ' MET . 72.4 mt -67.1 -54.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.123 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -56.63 -30.9 63.8 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.92 -49.68 75.93 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.75 1.22 . . . . 0.0 109.92 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -77.44 -26.47 51.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.514 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.717 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 51.3 mtp . . . . . 0 C--N 1.31 -1.117 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -34.77 79.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.409 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -61.12 -45.05 96.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.241 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -65.27 -38.78 91.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.54 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.27 -49.97 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -56.12 -51.2 68.77 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 123.505 0.503 . . . . 0.0 110.21 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -58.16 -47.22 84.04 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.93 0.769 . . . . 0.0 111.596 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.53 -45.11 76.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.033 0.444 . . . . 0.0 111.306 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.9 ttpt -56.41 -46.16 80.33 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 124.541 1.136 . . . . 0.0 109.364 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.47 -41.01 93.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.231 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.527 ' O ' HD21 ' B' ' 20' ' ' LEU . 35.2 mt-10 -55.06 -45.9 75.34 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 123.654 0.596 . . . . 0.0 110.119 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.461 ' O ' HD21 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -63.24 -44.72 94.4 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.29 -179.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 14' ' ' LYS . 64.4 mt -56.67 -38.48 57.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.51 -36.0 77.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.02 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.527 HD21 ' O ' ' B' ' 16' ' ' GLU . 2.1 mm? -74.82 -49.44 20.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.401 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.0 p -66.92 -30.8 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 119.479 -0.888 . . . . 0.0 112.58 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.76 -45.44 92.66 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 122.198 -0.314 . . . . 0.0 111.184 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -74.01 -12.27 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.672 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 22.1 t-80 -58.92 -42.73 90.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.08 0.466 . . . . 0.0 110.148 175.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.95 -16.62 0.06 OUTLIER Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.404 -176.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.8 mp -53.21 134.31 39.13 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 121.553 0.692 . . . . 0.0 112.606 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.548 ' O ' HG22 ' B' ' 31' ' ' VAL . 5.6 t70 -86.12 -177.5 6.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.533 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 12.2 m170 -61.08 -36.41 79.56 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 122.55 0.34 . . . . 0.0 110.602 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -71.24 -39.79 71.44 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.923 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.414 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 31.8 mmtm -62.36 -38.41 89.43 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.258 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.548 HG22 ' O ' ' B' ' 27' ' ' ASP . 38.8 t -67.35 -34.93 72.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 89.2 mt -69.7 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -42.77 99.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.134 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -63.38 -51.73 64.65 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -60.04 -35.68 75.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -77.92 -35.79 50.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 3.8 t70 -75.01 -32.21 61.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.7 -47.75 68.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.051 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.78 -43.73 90.5 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.274 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 43.9 pttt -64.94 -37.87 89.09 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.494 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.78 -35.6 78.98 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.526 0.679 . . . . 0.0 109.358 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.574 ' O ' ' HG2' ' B' ' 46' ' ' MET . 61.2 mt -73.37 -51.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.91 -35.87 69.52 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.002 0.43 . . . . 0.0 110.932 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.82 -52.81 62.73 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.231 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD23 ' A' ' 26' ' ' LEU . 55.3 m-85 -75.95 -23.51 55.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.8 mmm . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 7.2 pt20 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.474 HD13 ' HD1' ' B' ' 24' ' ' HIS . 2.8 tm? -61.22 -41.67 97.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.594 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.23 -35.49 81.0 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.61 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.1 mmmt -68.84 -40.15 79.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mt -56.99 -48.15 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 49.7 mm-40 -57.35 -52.6 64.69 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.453 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.56 -40.9 93.3 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.742 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 1.9 tppp? -74.62 -39.62 62.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.1 ttpt -56.32 -47.98 77.64 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.23 1.012 . . . . 0.0 109.194 173.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 18' ' ' ILE . 44.0 mttm -58.28 -39.37 79.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.814 0.846 . . . . 0.0 112.674 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 59.8 mm-40 -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.717 0.77 . . . . 0.0 109.594 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -66.44 -43.27 86.1 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.537 -1.21 . . . . 0.0 111.179 -177.566 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.2 mt -55.82 -41.95 68.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.01 -33.36 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.355 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.4 mp -69.22 -52.27 29.48 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.748 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.56 ' O ' HD12 ' A' ' 26' ' ' LEU . 17.4 t -60.04 -40.92 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 121.086 0.47 . . . . 0.0 109.926 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.39 69.71 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 123.613 0.765 . . . . 0.0 112.293 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.2 -18.64 64.63 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.709 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' HB2' HD12 ' B' ' 6' ' ' LEU . 85.7 t60 -60.37 -37.76 81.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.426 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.15 6.36 0.09 OUTLIER Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 118.928 -1.606 . . . . 0.0 113.691 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.3 mp -66.64 146.45 54.47 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-O 121.621 0.724 . . . . 0.0 112.034 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.522 ' O ' HG21 ' A' ' 31' ' ' VAL . 11.3 m-20 -77.39 167.68 21.27 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.31 -39.17 92.15 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.9 m-20 -63.06 -41.31 99.43 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.788 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -59.91 -44.39 94.32 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.491 0.495 . . . . 0.0 110.569 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 27' ' ' ASP . 55.4 t -59.27 -43.31 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 123.546 0.529 . . . . 0.0 110.132 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.9 mt -63.25 -48.01 80.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.593 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 70.4 mt -65.98 -44.64 84.28 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.613 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.98 -51.23 70.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.964 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 p -60.95 -41.38 96.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.24 -34.84 63.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.384 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.89 -40.67 72.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.5 tp -58.33 -47.23 84.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.951 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.67 -45.46 94.08 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.429 0.456 . . . . 0.0 110.212 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.21 -36.46 83.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.088 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.28 -39.72 95.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.681 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.0 mt -65.5 -54.18 31.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -52.16 -38.4 57.54 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.851 0.86 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -57.74 -49.6 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.342 1.057 . . . . 0.0 110.448 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -75.29 -33.1 61.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.681 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.2 mtp . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 24' ' ' HIS . 2.6 tm? . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.42 82.87 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.549 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.77 -44.54 96.63 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.395 0.434 . . . . 0.0 110.228 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -62.56 -49.78 73.92 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 123.331 0.394 . . . . 0.0 111.036 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 20' ' ' LEU . 60.2 mt -50.25 -54.38 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 0.0 111.033 175.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 54.9 mm-40 -58.78 -55.29 36.98 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 123.331 0.395 . . . . 0.0 111.036 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -58.21 -47.5 83.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.36 -37.96 80.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.481 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.75 -48.09 83.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.106 0.963 . . . . 0.0 109.054 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.3 mtpm? -62.78 -40.62 97.88 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.435 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.89 -41.22 82.13 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 110.325 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -45.16 69.98 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 14' ' ' LYS . 93.6 mt -55.03 -42.56 65.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 123.32 0.388 . . . . 0.0 110.052 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.03 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.16 -49.37 44.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.581 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.18 -40.02 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 121.283 0.564 . . . . 0.0 109.896 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.03 79.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.546 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -76.31 1.27 16.6 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.474 ' HD1' HD13 ' A' ' 6' ' ' LEU . 84.8 t60 -74.33 -29.28 61.53 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.99 42.34 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.872 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.2 mt -96.89 149.05 22.31 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.621 0.724 . . . . 0.0 111.676 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.47 ' O ' HG22 ' B' ' 31' ' ' VAL . 24.7 t70 -81.93 167.64 18.73 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.559 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 32.1 t60 -58.49 -33.92 70.33 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.846 0.294 . . . . 0.0 110.342 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -36.42 77.6 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.5 mmtm -67.37 -43.52 81.22 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.025 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -60.98 -42.85 94.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 O-C-N 123.647 0.592 . . . . 0.0 109.646 177.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 54.6 mt -65.74 -47.25 75.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.682 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.59 -43.01 91.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.189 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -64.59 -49.9 69.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -58.51 -39.15 79.3 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 13.3 ptm180 -77.0 -41.25 43.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.189 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -28.86 62.09 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.47 -41.44 93.36 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.35 -46.71 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 94.3 mttt -55.33 -49.3 72.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.127 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.69 -42.72 89.21 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.999 0.519 . . . . 0.0 111.358 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.2 mt -66.23 -53.8 33.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -51.4 -38.3 52.75 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.118 0.967 . . . . 0.0 111.34 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.06 -43.87 87.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.094 0.958 . . . . 0.0 110.394 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -86.15 -24.22 26.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.772 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 63.3 mtp . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.522 0.677 . . . . 0.0 109.324 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' B' ' 24' ' ' HIS . 3.0 tm? -69.09 -46.76 66.97 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -34.19 77.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.776 178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.45 -48.46 81.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.72 0.808 . . . . 0.0 109.086 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.85 -38.62 91.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.092 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -58.52 -52.04 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -56.55 -45.04 81.42 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.713 0.633 . . . . 0.0 110.477 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.76 -53.49 57.2 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.946 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -71.39 -35.76 71.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.6 ttpt -57.75 -49.44 76.56 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.139 0.976 . . . . 0.0 109.37 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 7.7 mtpm? -67.33 -36.71 82.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.993 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.25 -41.3 83.92 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-O 121.601 0.715 . . . . 0.0 110.161 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 21' ' ' VAL . 11.8 tp -69.16 -45.18 70.68 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.034 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.6 mt -55.18 -40.88 57.57 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 O-C-N 123.538 0.524 . . . . 0.0 109.758 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.0 mt-30 -55.91 -46.06 78.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.658 0.599 . . . . 0.0 110.539 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -68.54 -46.15 70.29 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.34 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 22.8 t -64.53 -33.22 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.228 0.537 . . . . 0.0 110.337 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -52.88 34.23 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.5 ptm180 -66.82 -18.94 65.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.516 0.51 . . . . 0.0 112.039 -178.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.9 t-80 -50.67 -45.76 58.23 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.17 41.17 0.03 OUTLIER Glycine 0 N--CA 1.42 -2.415 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.23 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 19.7 mt -91.0 158.35 16.75 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 121.484 0.659 . . . . 0.0 111.501 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 31' ' ' VAL . 18.6 m-20 -83.36 168.03 17.0 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.581 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.3 t-80 -61.64 -41.94 98.2 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.7 p30 -62.03 -37.91 86.69 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.486 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.4 mmtm -62.56 -46.73 87.0 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.622 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 27' ' ' ASP . 43.6 t -58.98 -40.41 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 53.9 mt -64.83 -51.75 60.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.7 mt -63.24 -42.28 99.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.599 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.45 -54.76 39.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.21 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 p -62.25 -35.97 80.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -74.57 -37.77 62.87 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.527 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.0 -39.21 79.46 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.58 -43.91 92.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.191 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.43 -44.74 96.6 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.49 -35.79 81.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.31 -42.28 99.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 109.812 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -49.47 76.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.29 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -56.39 -36.39 68.83 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.553 0.216 . . . . 0.0 111.221 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -58.02 -49.71 75.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 110.69 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -81.31 -28.94 34.37 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 CA--C 1.499 -1.014 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.011 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HG2' ' HE3' ' B' ' 46' ' ' MET . 0.0 OUTLIER -64.13 -36.09 82.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.318 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.1 -39.88 87.68 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.437 0.46 . . . . 0.0 109.826 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -72.4 -34.32 67.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.01 -49.84 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.35 -50.14 70.41 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.769 0.668 . . . . 0.0 110.392 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -53.77 -49.69 67.69 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.615 1.197 . . . . 0.0 111.513 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.73 -40.77 47.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.379 -174.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.4 ttpt -58.04 -48.92 78.63 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 124.304 1.041 . . . . 0.0 109.596 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.442 ' HA ' HD11 ' B' ' 18' ' ' ILE . 33.9 mttp -62.01 -39.59 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.45 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.08 -41.07 82.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.552 0.691 . . . . 0.0 111.057 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -43.38 76.3 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.794 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 14' ' ' LYS . 97.4 mt -55.32 -41.31 61.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 123.564 0.54 . . . . 0.0 109.631 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -58.11 -38.54 76.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.456 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.46 -49.39 41.88 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.564 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.57 -37.27 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 121.379 0.609 . . . . 0.0 110.285 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.491 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.55 -52.44 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.684 0.794 . . . . 0.0 112.492 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.18 -19.08 65.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.806 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.415 ' HB2' HD12 ' A' ' 6' ' ' LEU . 86.6 t60 -62.54 -37.1 84.8 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.77 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.61 -16.9 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.338 0 C-N-CA 119.457 -1.354 . . . . 0.0 112.433 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.26 132.04 42.81 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.553 ' O ' HG22 ' B' ' 31' ' ' VAL . 12.4 m-20 -71.8 168.13 18.49 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.436 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.456 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 24.6 t60 -62.14 -37.17 84.18 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.601 . . . . 0.0 109.537 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.293 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 35.1 mmtm -60.53 -42.24 96.09 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.087 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.553 HG22 ' O ' ' B' ' 27' ' ' ASP . 39.5 t -64.71 -43.25 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.768 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.8 mt -62.51 -43.09 99.67 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.28 -44.42 68.43 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.314 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -64.38 -45.73 86.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.135 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.2 p -59.91 -46.19 90.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 11.1 ptm180 -72.17 -33.4 67.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.55 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.685 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 7.2 t70 -75.21 -37.33 61.17 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.665 0.745 . . . . 0.0 109.136 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.93 -42.58 89.9 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.423 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.96 -39.22 88.7 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.093 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.685 ' HG3' ' O ' ' B' ' 37' ' ' ASP . 1.7 pptp? -70.4 -31.73 69.07 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 120.863 0.363 . . . . 0.0 111.861 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -42.93 95.19 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.682 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.9 mt -69.6 -56.48 11.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.912 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -51.54 -35.53 41.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.984 0.513 . . . . 0.0 111.742 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 -52.59 64.86 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -75.84 -30.97 59.13 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 85.6 mtp . . . . . 0 C--N 1.318 -0.77 0 C-N-CA 122.34 0.256 . . . . 0.0 111.034 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 . . . . . 0 C--O 1.238 0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.05 -46.41 67.93 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -27.94 66.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.69 -45.5 93.73 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.111 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -64.26 -37.46 87.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.48 -48.73 86.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.682 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -55.68 -51.08 68.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 123.554 0.534 . . . . 0.0 110.627 176.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.85 -49.52 73.08 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 124.39 1.056 . . . . 0.0 110.374 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -68.53 -43.81 75.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.008 -175.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 ttpt -55.06 -48.11 73.94 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 124.363 1.065 . . . . 0.0 108.703 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HA ' HD13 ' A' ' 18' ' ' ILE . 76.8 mttt -63.7 -41.15 98.16 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.408 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.26 -43.8 88.07 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.636 0.585 . . . . 0.0 109.726 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.05 -45.01 90.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.213 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 14' ' ' LYS . 62.8 mt -58.78 -42.82 86.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -58.81 -38.22 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 110.302 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.3 mt -69.53 -49.24 56.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.898 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.505 ' O ' HD11 ' A' ' 26' ' ' LEU . 2.8 m -66.47 -32.04 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.795 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.56 68.94 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 112.084 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -65.38 -19.04 65.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 86.4 t60 -61.63 -29.34 69.99 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.512 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.09 2.41 0.23 Allowed Glycine 0 C--O 1.223 -0.584 0 C-N-CA 118.738 -1.696 . . . . 0.0 114.434 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD11 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -69.53 151.39 46.07 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 31' ' ' VAL . 21.0 t70 -85.2 159.35 20.13 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 172.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 30.1 m80 -58.41 -27.82 64.65 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.2 t70 -60.93 -42.84 98.91 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.793 0.806 . . . . 0.0 109.499 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -72.06 -34.62 68.89 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.756 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 27' ' ' ASP . 49.1 t -66.77 -41.06 87.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 64.4 mt -64.11 -53.85 43.18 Favored 'General case' 0 C--O 1.205 -1.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.269 177.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.2 mt -59.81 -42.79 94.26 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.48 -52.03 66.19 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.401 ' HB3' HD11 ' A' ' 18' ' ' ILE . 30.7 p -59.53 -37.03 77.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 40.0 mtp85 -72.02 -43.37 65.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.48 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.8 t70 -75.84 -28.51 58.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.417 0.627 . . . . 0.0 110.044 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.48 -44.01 83.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.578 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 46.2 mtpt -54.7 -47.41 73.73 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.504 0.721 . . . . 0.0 111.528 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 ' CD1' ' B' ' 34' ' ' PHE . 2.2 tt -59.58 -48.0 83.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.98 -54.03 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.557 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -53.62 -36.1 61.66 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.797 0.439 . . . . 0.0 111.397 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.43 -49.96 74.76 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.588 0.755 . . . . 0.0 111.297 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -77.92 -37.07 48.61 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.234 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.478 ' SD ' ' HB ' ' B' ' 21' ' ' VAL . 97.8 mmm . . . . . 0 C--N 1.307 -1.244 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.196 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.42 73.87 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.065 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -58.43 -48.66 79.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.256 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.66 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.19 -50.91 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 123.633 0.583 . . . . 0.0 110.512 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -57.71 -54.41 47.23 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.226 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.53 -41.79 77.36 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.691 0.62 . . . . 0.0 112.452 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.08 -47.41 62.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.463 ' HD3' HD11 ' B' ' 42' ' ' ILE . 28.1 ttpt -57.56 -43.9 84.84 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 123.706 0.803 . . . . 0.0 109.229 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.92 -39.27 93.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.724 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 42.0 mt-10 -55.22 -41.85 72.58 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.89 66.85 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.866 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.49 -40.29 81.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.57 -27.21 68.27 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.923 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 87.0 mt -74.05 -51.54 15.49 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.33 0.252 . . . . 0.0 111.204 176.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.5 m -63.03 -27.38 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.47 0.653 . . . . 0.0 110.805 176.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.29 -49.84 62.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.36 -7.54 32.15 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 19.3 t-80 -62.37 -46.89 86.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.7 42.55 0.05 OUTLIER Glycine 0 N--CA 1.422 -2.261 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.581 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 42.6 mt -85.48 132.65 34.17 Favored 'General case' 0 CA--C 1.489 -1.384 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.338 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.79 46.05 0.64 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 66.12 -53.63 0.4 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 126.153 1.781 . . . . 0.0 113.59 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.09 -38.62 83.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 46.2 mmtm -61.28 -42.24 98.3 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.823 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.8 -42.81 93.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.01 -46.99 79.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.487 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.44 -39.15 81.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.828 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.551 ' CD1' HD23 ' A' ' 41' ' ' LEU . 85.7 t80 -63.68 -52.97 58.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.662 0.601 . . . . 0.0 111.295 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -57.86 -42.73 85.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.401 0.438 . . . . 0.0 111.971 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.78 -28.78 60.88 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 11.8 t70 -81.83 -32.17 31.33 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.928 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.85 -38.52 91.41 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.9 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -45.63 93.38 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.068 174.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 48.0 mtpt -55.78 -49.51 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.609 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 56.5 tp -60.55 -43.11 97.57 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.696 0.623 . . . . 0.0 111.133 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.4 mt -64.76 -53.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.008 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.713 0.405 . . . . 0.0 110.615 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 39.5 ttmt -52.61 -39.75 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.774 1.23 . . . . 0.0 110.611 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.416 ' O ' HD12 ' A' ' 26' ' ' LEU . 26.4 m-85 -94.52 -12.53 27.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.1 mtp . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 0.0 109.837 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.6 mt-30 . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.18 -49.1 78.23 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.985 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -63.95 -37.75 88.55 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.53 -38.59 91.55 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 66.9 mttm -62.4 -49.37 75.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -57.39 -49.65 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.228 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.07 -52.82 61.99 Favored 'General case' 0 CA--C 1.503 -0.831 0 O-C-N 123.494 0.496 . . . . 0.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 123.865 0.728 . . . . 0.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -66.41 -46.64 75.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.957 0.408 . . . . 0.0 111.337 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.5 ttpt -57.77 -48.87 78.42 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.446 1.098 . . . . 0.0 109.177 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -63.08 -37.77 88.52 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.841 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.9 mt-10 -57.32 -45.15 84.54 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.349 0.595 . . . . 0.0 109.671 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.67 -43.02 81.2 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.713 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 14' ' ' LYS . 76.4 mt -58.92 -42.43 85.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -61.13 -33.62 73.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.527 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 93.2 mt -73.15 -48.37 36.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.566 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.552 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.1 m -64.78 -31.9 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.029 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.03 65.84 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.02 0.528 . . . . 0.0 111.272 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -63.54 -19.03 64.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.959 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.0 t-80 -57.1 -40.51 77.15 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.519 175.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.67 -3.92 0.21 Allowed Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 119.338 -1.411 . . . . 0.0 113.873 -177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -58.22 146.49 33.65 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' HG21 ' A' ' 31' ' ' VAL . 8.1 m-20 -77.67 164.21 25.5 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.547 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 44.7 t-80 -57.24 -39.78 76.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -57.1 -43.86 82.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.14 1.376 . . . . 0.0 110.758 176.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -66.76 -40.45 88.27 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.544 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 27' ' ' ASP . 59.5 t -63.63 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 90.7 mt -62.46 -47.62 83.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 77.8 mt -67.42 -44.6 78.39 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -62.26 -50.28 72.33 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -58.67 -42.68 89.03 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -74.3 -39.05 63.15 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.916 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.27 -36.73 77.41 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 42' ' ' ILE . 20.5 tp -62.75 -49.75 73.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.253 175.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.09 -47.46 77.97 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 121.016 0.436 . . . . 0.0 110.165 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.2 -35.57 81.22 Favored 'General case' 0 N--CA 1.409 -2.483 0 C-N-CA 124.929 1.291 . . . . 0.0 112.267 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.19 -39.61 89.81 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.628 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.3 mt -67.42 -53.63 30.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.149 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -51.78 -35.55 44.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.365 1.066 . . . . 0.0 111.677 177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -64.08 -46.23 85.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.837 0.351 . . . . 0.0 110.706 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -76.66 -32.36 57.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.965 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 67.8 mtp . . . . . 0 C--N 1.322 -0.612 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.0 mmmt -61.49 -36.57 80.85 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.315 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -57.58 -44.58 85.45 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 123.691 0.619 . . . . 0.0 110.415 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -60.54 -47.07 87.81 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.2 -50.88 76.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.25 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 29.2 mm-40 -54.3 -50.78 66.53 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 123.76 0.662 . . . . 0.0 110.375 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.94 -49.05 79.32 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.296 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -38.19 80.87 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.143 0.497 . . . . 0.0 110.52 -176.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.489 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.18 -48.71 80.6 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 124.882 1.273 . . . . 0.0 109.339 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 29.7 mtpp -65.62 -30.85 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.918 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 48.4 mt-10 -64.43 -42.63 95.92 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -45.68 71.77 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.492 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 14' ' ' LYS . 96.1 mt -53.8 -44.04 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 123.533 0.521 . . . . 0.0 110.163 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.99 -23.66 60.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.746 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 86.8 mt -73.13 -48.55 34.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.4 t -59.83 -35.97 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.507 0.67 . . . . 0.0 109.918 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.44 -51.99 65.31 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.474 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.76 -5.24 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.067 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.6 t-80 -64.86 -37.47 87.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.78 33.1 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.864 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 29.3 mt -91.37 150.68 21.17 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 121.557 0.694 . . . . 0.0 111.706 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.519 ' O ' HG22 ' B' ' 31' ' ' VAL . 14.1 m-20 -77.49 161.54 27.85 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.628 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 63.9 m-70 -61.78 -29.45 70.15 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.932 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 9.1 m-20 -65.27 -42.85 92.8 Favored 'General case' 0 CA--C 1.506 -0.745 0 O-C-N 123.349 0.405 . . . . 0.0 110.485 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -58.08 -46.74 84.96 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.713 0.633 . . . . 0.0 109.597 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.519 HG22 ' O ' ' B' ' 27' ' ' ASP . 46.5 t -58.32 -44.31 88.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 123.752 0.821 . . . . 0.0 110.168 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 95.5 mt -61.35 -50.17 74.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 69.8 mt -63.67 -42.02 98.12 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.308 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -64.88 -52.88 54.17 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.001 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 11.9 ptm180 -77.69 -36.67 50.93 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.504 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.71 -40.5 76.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.5 -44.27 96.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.541 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.67 -41.7 91.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.702 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 26.7 mtpp -67.82 -46.96 70.39 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.99 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.4 tp -55.77 -42.14 75.05 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 122.743 0.417 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.71 ' O ' ' HG3' ' B' ' 46' ' ' MET . 60.9 mt -65.05 -60.01 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.403 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.74 -32.66 67.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.651 0.38 . . . . 0.0 111.667 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -58.57 -51.63 69.06 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.764 1.225 . . . . 0.0 109.755 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.426 ' HB3' HD23 ' A' ' 26' ' ' LEU . 12.0 m-85 -74.39 -32.45 62.73 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.71 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.7 mtp . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 C--O 1.238 0.48 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.52 HD13 ' HD1' ' B' ' 24' ' ' HIS . 3.4 tm? -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.824 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 8.2 mmmt -61.89 -37.6 85.19 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.396 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -63.06 -38.45 91.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.892 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -65.08 -39.99 94.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.111 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -49.26 84.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.976 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 16.6 mm-40 -60.28 -43.63 96.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.72 -53.76 54.6 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.975 0.91 . . . . 0.0 110.732 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.92 -40.06 83.44 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.676 0.79 . . . . 0.0 111.115 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.1 ttpt -56.92 -47.75 79.86 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 124.089 0.956 . . . . 0.0 108.788 175.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.25 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.64 -45.25 85.72 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.563 0.697 . . . . 0.0 109.358 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -45.77 73.38 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.313 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.6 mt -55.44 -40.55 58.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 123.506 0.504 . . . . 0.0 110.026 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 54.3 mt-30 -64.38 -39.3 93.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.57 -47.84 74.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.597 ' O ' HD12 ' A' ' 26' ' ' LEU . 76.9 t -58.49 -44.72 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.646 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -58.22 -49.5 76.84 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 123.648 0.779 . . . . 0.0 111.933 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 15.6 ptm180 -67.29 -17.93 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 49.6 t-80 -59.75 -31.16 69.39 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 120.567 0.222 . . . . 0.0 110.625 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.08 -12.16 0.51 Allowed Glycine 0 C--O 1.239 0.441 0 C-N-CA 119.771 -1.204 . . . . 0.0 113.753 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -52.71 149.26 6.3 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 31' ' ' VAL . 26.4 m-20 -88.24 179.75 6.3 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.494 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.476 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 80.2 m-70 -67.01 -46.0 75.83 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.438 -176.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.38 -37.42 83.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.233 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.42 -43.44 98.86 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.737 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 27' ' ' ASP . 57.4 t -65.48 -38.84 83.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.1 mt -62.92 -48.92 76.83 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.263 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.36 -49.04 77.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 79.3 t80 -57.35 -52.41 65.46 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.454 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.4 p -61.28 -43.0 99.59 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -74.47 -34.16 63.06 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 28.5 t70 -69.65 -35.68 75.4 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-O 122.147 0.975 . . . . 0.0 108.621 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.08 -46.04 45.46 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.069 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.84 -40.44 80.11 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.993 0.425 . . . . 0.0 110.669 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 16.8 pttm -67.47 -36.73 81.72 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.141 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 tp -68.64 -35.55 77.44 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.946 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' A' ' 46' ' ' MET . 64.0 mt -70.79 -57.36 7.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.525 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -58.03 -32.02 67.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.179 0.592 . . . . 0.0 111.524 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.19 -50.02 75.32 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.247 0.619 . . . . 0.0 110.53 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.24 -33.47 59.18 Favored 'General case' 0 CA--C 1.487 -1.472 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.2 mtp . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.457 -0.099 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -66.73 -29.3 69.24 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.036 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.07 -33.69 72.24 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.08 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -69.29 -35.53 76.1 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.37 -48.7 87.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.558 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 15.2 mm-40 -57.09 -48.06 79.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.689 0.618 . . . . 0.0 109.576 175.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.7 -52.18 60.87 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.25 1.02 . . . . 0.0 111.308 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -39.53 72.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.797 -175.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.53 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -55.27 -49.94 70.78 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 108.635 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.435 ' HB3' ' HZ2' ' B' ' 15' ' ' LYS . 9.5 mtpm? -64.58 -36.42 84.18 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.326 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.79 -35.99 81.66 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 121.191 0.519 . . . . 0.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -43.63 54.62 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.767 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 14' ' ' LYS . 72.5 mt -57.8 -41.91 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -57.01 -41.19 78.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -52.66 52.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.066 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -63.04 -32.34 55.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.04 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.21 71.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.415 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.89 -6.58 48.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.421 . . . . 0.0 111.546 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.52 ' HD1' HD13 ' A' ' 6' ' ' LEU . 75.8 t60 -75.61 -20.95 58.2 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.55 38.85 0.11 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 64.7 mt -100.13 138.32 37.36 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.858 0.837 . . . . 0.0 111.661 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.528 ' O ' HG22 ' B' ' 31' ' ' VAL . 19.8 t70 -72.54 161.16 31.15 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.578 -1.646 . . . . 0.0 106.75 173.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.662 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 39.0 m80 -49.83 -36.96 28.58 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.592 0.558 . . . . 0.0 110.408 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.35 -47.67 85.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.694 0.797 . . . . 0.0 111.199 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -65.76 -39.28 90.89 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.942 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.528 HG22 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -64.34 -43.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.0 mt -62.95 -50.16 71.91 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.273 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.2 -42.32 96.68 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.366 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -63.81 -51.33 65.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.31 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.1 p -60.04 -42.06 93.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -68.02 -38.98 83.22 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.2 -43.34 61.5 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -57.52 -45.24 85.22 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.89 0.876 . . . . 0.0 111.04 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.88 -40.61 96.01 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.59 -30.49 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.703 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.1 tt -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' B' ' 46' ' ' MET . 68.2 mt -66.65 -45.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.622 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -57.07 -36.0 70.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 120.572 0.225 . . . . 0.0 111.352 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.493 ' HD2' ' CE2' ' B' ' 45' ' ' PHE . 37.0 ttmt -55.7 -48.94 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.911 0.884 . . . . 0.0 109.958 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.493 ' CE2' ' HD2' ' B' ' 44' ' ' LYS . 75.4 m-85 -86.79 -20.67 27.25 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 11.9 mmt . . . . . 0 C--O 1.247 0.943 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' B' ' 24' ' ' HIS . 2.9 tm? -58.17 -50.79 72.28 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 124.094 0.871 . . . . 0.0 110.59 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mmmp? -68.55 -33.7 74.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 123.588 0.555 . . . . 0.0 109.766 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.0 -50.11 75.32 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.055 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' B' ' 20' ' ' LEU . 73.4 mt -55.18 -48.1 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 123.905 0.753 . . . . 0.0 111.16 177.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 12.6 mm-40 -60.99 -49.75 76.16 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.336 0.397 . . . . 0.0 110.731 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.9 t30 -59.2 -46.16 89.17 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -66.0 -44.91 83.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.885 0.474 . . . . 0.0 110.552 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -55.03 -50.73 68.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.471 1.109 . . . . 0.0 108.256 175.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HA ' HD13 ' A' ' 18' ' ' ILE . 8.4 mtpm? -65.17 -34.15 77.7 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.434 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 43.6 mt-10 -61.71 -42.75 99.36 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -44.26 77.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.678 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 14' ' ' LYS . 73.8 mt -57.59 -40.97 78.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.944 0.402 . . . . 0.0 110.008 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.71 -33.45 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.995 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.78 -49.56 24.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.717 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 10.8 m -62.99 -31.24 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.334 175.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.3 -48.92 76.08 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -69.43 -18.73 63.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.695 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 56.3 t-80 -56.57 -40.99 76.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.0 46.52 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.401 -0.905 . . . . 0.0 112.682 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 23.2 mt -94.07 152.93 18.43 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.364 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.12 158.06 36.04 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.445 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 51.8 t-80 -59.0 -38.56 79.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 118.524 0.602 . . . . 0.0 110.04 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.75 -35.16 79.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.5 mmtp -63.81 -45.66 88.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.496 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.55 -42.68 81.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 124.026 0.828 . . . . 0.0 109.853 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 71.5 mt -66.97 -52.3 44.49 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -41.09 97.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.567 0.222 . . . . 0.0 111.377 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 77.1 t80 -61.59 -51.47 68.42 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.382 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -61.44 -41.29 96.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 46.6 mtp180 -63.72 -42.28 97.95 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 21.3 t0 -73.73 -44.63 55.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.988 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.594 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 6.7 tt -62.02 -38.28 88.07 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.97 -37.23 79.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.213 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -74.02 -34.26 64.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.566 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.27 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' A' ' 46' ' ' MET . 56.8 mt -68.37 -57.11 10.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.304 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -55.57 -34.35 64.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.133 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -57.84 -49.92 75.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.363 0.602 . . . . 0.0 109.823 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -76.42 -33.92 58.8 Favored 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.5 mtp . . . . . 0 C--N 1.323 -0.578 0 O-C-N 123.476 0.485 . . . . 0.0 109.998 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.43 81.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.73 -37.49 87.54 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.606 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.8 -43.03 89.91 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.12 -49.09 84.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.591 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -57.23 -50.19 73.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.625 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.49 -45.14 89.31 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.547 0.529 . . . . 0.0 111.967 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.86 -43.57 83.27 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.93 0.395 . . . . 0.0 110.468 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -56.43 -48.86 76.13 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 124.295 1.038 . . . . 0.0 108.732 174.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.422 ' HA ' HD13 ' B' ' 18' ' ' ILE . 84.6 mttt -62.38 -38.85 91.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.539 0.736 . . . . 0.0 112.131 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.68 -44.59 90.26 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.407 0.622 . . . . 0.0 109.658 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -40.96 95.22 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.106 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -60.49 -40.64 84.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.5 mt-30 -58.66 -41.25 85.68 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.293 0.568 . . . . 0.0 109.975 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' A' ' 10' ' ' ILE . 4.8 mp -63.65 -52.67 59.7 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.363 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.452 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.7 m -66.36 -27.65 41.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.327 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.36 62.91 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 122.156 -0.34 . . . . 0.0 111.571 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -72.59 -14.2 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.088 0.47 . . . . 0.0 109.963 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.48 ' HB2' HD12 ' A' ' 6' ' ' LEU . 79.7 t60 -63.16 -38.15 90.05 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 172.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.08 49.65 0.08 OUTLIER Glycine 0 N--CA 1.428 -1.891 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.441 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.1 mt -88.91 152.35 21.78 Favored 'General case' 0 CA--C 1.486 -1.49 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.155 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.35 166.52 21.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.538 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.6 t-80 -61.32 -41.01 96.31 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.478 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 14.0 m-20 -68.91 -36.6 78.22 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.22 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.6 mmtm -57.19 -47.38 81.41 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.095 0.247 . . . . 0.0 110.552 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.39 -40.94 85.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.543 0.527 . . . . 0.0 110.233 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.0 mt -66.39 -53.28 37.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.0 mt -62.85 -42.93 99.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.76 -53.59 51.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 56.4 p -57.96 -39.14 77.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -75.34 -38.72 60.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 16.7 t70 -74.52 -32.19 62.4 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.448 ' O ' HG13 ' B' ' 42' ' ' ILE . 31.0 tp -62.26 -51.79 66.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.496 173.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.74 -45.41 78.03 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.352 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 73.6 tttt -58.22 -51.82 68.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 125.962 1.705 . . . . 0.0 111.161 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.14 -39.96 80.12 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.315 0.646 . . . . 0.0 110.505 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.693 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.2 mt -68.64 -54.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.163 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -54.09 -30.92 50.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.464 0.706 . . . . 0.0 112.333 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -49.1 76.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.562 0.696 . . . . 0.0 110.096 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.85 -27.44 57.82 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.693 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 50.3 mtp . . . . . 0 C--N 1.312 -1.059 0 CA-C-O 121.626 0.727 . . . . 0.0 110.467 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.52 -46.22 76.93 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HG2' ' HE3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -64.66 -35.31 80.63 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 176.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -59.96 -38.15 81.64 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.974 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.11 -35.72 56.15 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.487 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.35 -50.29 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.03 -48.11 76.6 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.466 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.5 t-20 -56.23 -53.32 58.57 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.67 -35.19 74.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.9 ttpt -57.99 -49.19 77.69 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 124.424 1.089 . . . . 0.0 109.093 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HZ2' ' HB3' ' A' ' 15' ' ' LYS . 8.0 mtpm? -67.32 -34.81 78.15 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.75 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 12' ' ' ASN . 15.4 mm-40 -55.33 -44.31 75.76 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.745 0.783 . . . . 0.0 108.923 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -42.96 67.23 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.2 mt -59.93 -43.28 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -63.16 -33.24 75.05 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' B' ' 10' ' ' ILE . 4.7 mp -67.06 -54.74 18.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.778 175.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 8.8 m -61.93 -32.01 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.782 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.11 -48.65 79.2 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 122.944 0.498 . . . . 0.0 111.346 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.79 -18.64 64.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.5 t-80 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.328 0.392 . . . . 0.0 110.467 173.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.01 -9.29 0.44 Allowed Glycine 0 N--CA 1.436 -1.333 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.071 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -55.35 141.1 37.37 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 31' ' ' VAL . 4.1 m-20 -76.77 163.59 26.66 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.494 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 79.3 m80 -58.33 -39.4 79.35 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 123.627 0.58 . . . . 0.0 110.558 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.52 -35.22 79.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.444 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.76 -38.62 83.68 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.116 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 27' ' ' ASP . 94.7 t -63.92 -39.48 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.878 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.7 mt -60.09 -47.66 84.94 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 176.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.13 -46.74 82.76 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.6 -48.98 75.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.487 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 p -60.66 -40.26 91.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -74.16 -40.05 62.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.479 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.84 -39.09 90.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.891 0.853 . . . . 0.0 108.807 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.01 -43.24 83.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.711 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.1 -42.12 97.93 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.939 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.88 -40.71 95.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.236 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 39.3 tp -61.94 -41.63 98.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.666 ' O ' ' HG3' ' A' ' 46' ' ' MET . 67.6 mt -65.85 -56.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.871 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -52.87 -34.42 54.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.714 0.806 . . . . 0.0 112.361 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.91 -49.62 76.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.481 0.712 . . . . 0.0 110.578 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -80.96 -19.32 44.39 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 77.1 mtp . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.024 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -33.56 71.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -61.22 -44.82 96.67 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.02 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -43.84 91.45 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.107 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 20' ' ' LEU . 66.9 mt -48.89 -54.22 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.072 0.549 . . . . 0.0 112.196 173.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.36 -44.64 92.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.191 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.96 -47.11 86.29 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.247 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -70.97 -40.51 71.89 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 123.827 0.851 . . . . 0.0 110.539 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.551 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -52.55 -51.6 58.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.702 1.201 . . . . 0.0 108.738 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.418 ' HA ' HD13 ' B' ' 18' ' ' ILE . 58.8 mtpt -66.22 -34.78 78.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.661 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.88 -42.08 98.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.459 0.647 . . . . 0.0 109.776 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.401 ' C ' HD12 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -70.42 -42.86 71.03 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.298 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.66 -42.24 59.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 109.665 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.24 -24.81 64.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.321 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.47 -47.09 18.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.4 t -61.66 -36.29 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 121.302 0.572 . . . . 0.0 109.724 174.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.97 -48.27 79.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.199 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -72.46 -4.88 32.99 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.873 0.368 . . . . 0.0 111.864 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.3 t-80 -68.63 -27.01 65.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.966 174.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.07 2.26 1.21 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.014 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -61.23 139.25 58.18 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.491 ' O ' HG22 ' B' ' 31' ' ' VAL . 16.3 m-20 -74.03 171.69 13.03 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.91 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.467 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 14.9 p-80 -63.06 -42.68 99.75 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.071 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 20.5 m-20 -60.63 -39.42 88.16 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.584 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.484 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 33.9 mmtm -56.24 -47.45 78.47 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.551 0.532 . . . . 0.0 110.017 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 27' ' ' ASP . 36.1 t -63.02 -42.22 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.79 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.8 mt -63.4 -46.09 88.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.8 mt -66.12 -45.54 80.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.494 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.412 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 89.0 t80 -63.6 -50.31 69.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.245 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 49.6 p -60.46 -36.97 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.63 -37.69 59.52 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.53 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.03 -30.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.837 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.82 -42.91 90.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.933 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.91 -41.42 99.45 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.97 -48.41 80.05 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.208 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 29.1 tp -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.379 0.671 . . . . 0.0 111.806 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.11 -48.66 84.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.997 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.26 -28.94 70.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.7 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 37.7 ttmt -60.04 -27.51 66.99 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.464 1.106 . . . . 0.0 110.293 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD23 ' A' ' 26' ' ' LEU . 44.3 m-85 -111.34 -26.16 9.28 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 97.8 mmm . . . . . 0 C--N 1.297 -1.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.362 -176.674 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.579 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 20.1 mt-30 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.991 0.424 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.17 -44.66 45.38 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -31.32 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.579 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 21.1 t-20 -58.39 -40.52 82.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.632 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 43.5 mmtm -76.0 -34.2 59.72 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.14 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.44 -51.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 18.9 mm-40 -58.32 -48.74 79.57 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.714 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.47 -52.65 62.94 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.077 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 2.0 tppp? -69.79 -35.91 75.26 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.97 -46.74 84.67 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.007 0.923 . . . . 0.0 109.256 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HB3' ' HZ1' ' A' ' 15' ' ' LYS . 8.8 mtpm? -68.46 -35.67 77.91 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 mt-10 -57.17 -43.43 82.58 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -44.54 76.31 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.694 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.92 -42.56 86.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.57 -33.4 73.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.354 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 91.6 mt -67.85 -52.07 41.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.424 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.5 m -62.64 -32.01 54.03 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.138 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.927 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.69 63.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.881 0.472 . . . . 0.0 111.449 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 12.7 ptm180 -61.94 -18.5 60.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.953 0.901 . . . . 0.0 111.607 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.618 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.6 t-80 -54.36 -39.27 66.98 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 172.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.65 13.21 0.38 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.948 -1.12 . . . . 0.0 114.22 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -62.67 149.84 42.53 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' HG21 ' A' ' 31' ' ' VAL . 4.6 m-20 -69.43 157.44 37.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -62.35 -37.49 85.84 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.071 0.462 . . . . 0.0 110.754 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.7 t70 -62.9 -39.54 94.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.503 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -62.39 -41.2 98.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.711 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 27' ' ' ASP . 46.9 t -63.14 -41.66 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 89.8 mt -64.89 -47.82 76.45 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.715 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 89.2 mt -60.38 -47.29 86.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.817 0.341 . . . . 0.0 110.804 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.14 -49.94 73.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.219 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.2 p -60.23 -41.83 93.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 15.0 ptm180 -73.95 -35.2 64.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.073 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.13 -33.55 63.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.934 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.923 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.29 -46.81 88.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.24 -49.79 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.324 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 54.3 tp -58.26 -47.16 84.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 123.375 0.67 . . . . 0.0 111.413 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.699 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.93 -55.32 22.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -54.7 -33.26 60.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.576 0.35 . . . . 0.0 111.861 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 38.6 ttmt -57.99 -42.66 85.61 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.03 0.932 . . . . 0.0 110.086 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.53 -31.1 22.9 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.107 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.699 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 48.2 mtp . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -28.02 66.95 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -63.68 -43.49 96.5 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.85 -39.7 93.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.966 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.79 -51.94 66.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.518 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -54.19 -48.39 71.03 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.58 0.55 . . . . 0.0 110.368 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -61.45 -49.39 77.0 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.457 ' HE2' ' HD2' ' A' ' 13' ' ' LYS . 1.4 tpmt? -64.99 -41.34 95.49 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.7 ttpt -53.7 -53.15 56.13 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 124.975 1.31 . . . . 0.0 109.048 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.01 -38.06 89.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.293 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 45.5 mt-10 -61.38 -41.19 96.71 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 110.708 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.405 ' O ' HD21 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -67.28 -45.42 76.63 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 178.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.7 mt -57.18 -42.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 O-C-N 123.569 0.543 . . . . 0.0 109.705 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.52 -32.01 69.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.885 0.474 . . . . 0.0 111.563 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 92.1 mt -79.09 -50.7 10.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.823 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.19 -27.95 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 C-N-CA 120.089 -0.644 . . . . 0.0 112.018 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -64.74 -46.3 82.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.995 0.426 . . . . 0.0 111.104 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' B' ' 20' ' ' LEU . 19.7 ptp180 -73.84 -11.51 60.39 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.555 -177.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.95 -33.31 75.52 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.661 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.22 -18.88 0.23 Allowed Glycine 0 N--CA 1.434 -1.485 0 C-N-CA 119.4 -1.381 . . . . 0.0 112.69 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.4 mp -50.16 124.37 10.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.562 ' O ' HG22 ' B' ' 31' ' ' VAL . 17.0 t70 -73.76 168.59 19.08 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.058 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 61.1 m80 -57.53 -32.7 67.33 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.71 -36.05 77.96 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 34.4 mmtm -67.21 -44.71 78.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 114.418 -1.264 . . . . 0.0 109.963 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 27' ' ' ASP . 27.3 t -62.65 -40.8 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.631 0.582 . . . . 0.0 110.032 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.0 mt -62.37 -57.06 12.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.14 -42.63 95.26 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.022 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -63.85 -49.51 72.51 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -62.12 -36.51 81.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.769 0.319 . . . . 0.0 111.441 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.5 mtt180 -63.5 -52.37 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.679 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.05 -32.44 63.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.174 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.93 -42.91 97.22 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.28 -39.69 95.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -61.46 -48.65 80.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.173 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -57.81 -47.03 83.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.527 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.8 mt -61.52 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.061 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -53.29 -35.94 60.63 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 21.0 ttmm -57.19 -55.53 33.5 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.475 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.5 m-85 -78.3 -21.35 49.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 17.6 mtp . . . . . 0 C--N 1.314 -0.976 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.368 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 121.165 0.507 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.46 -44.02 88.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -63.56 -32.44 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.049 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.31 -43.36 91.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -62.33 -45.27 93.99 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.552 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' B' ' 20' ' ' LEU . 62.0 mt -55.62 -48.33 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 122.831 0.452 . . . . 0.0 111.749 174.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.26 -48.31 79.18 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 120.723 0.297 . . . . 0.0 110.563 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.86 -45.48 94.38 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.495 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -64.48 -45.16 88.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.109 0.481 . . . . 0.0 110.851 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' HG13 ' A' ' 18' ' ' ILE . 39.1 ttpt -56.3 -49.01 75.5 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 124.518 1.127 . . . . 0.0 108.561 176.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 41.6 mttm -63.54 -42.04 98.43 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.926 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD21 ' A' ' 20' ' ' LEU . 39.1 mt-10 -55.33 -44.72 76.16 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -65.96 -45.7 80.79 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.049 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 14' ' ' LYS . 69.4 mt -56.64 -39.09 60.8 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.715 0 O-C-N 123.694 0.621 . . . . 0.0 109.458 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -56.66 -43.98 80.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.189 0.306 . . . . 0.0 111.609 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.489 HD21 ' O ' ' A' ' 16' ' ' GLU . 1.8 mm? -67.22 -52.09 45.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.421 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.3 p -66.93 -32.16 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 119.771 -0.771 . . . . 0.0 113.023 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.31 -48.56 81.21 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 122.168 -0.333 . . . . 0.0 110.932 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -70.49 -19.33 62.94 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.535 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.9 t-80 -51.36 -56.01 15.4 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.591 0.557 . . . . 0.0 110.02 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.63 16.48 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.934 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -77.42 145.3 37.25 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.573 0.701 . . . . 0.0 111.887 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 31' ' ' VAL . 10.9 m-20 -83.54 175.16 9.98 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 52.5 p-80 -59.73 -44.18 93.88 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.418 0.627 . . . . 0.0 109.681 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.9 p-10 -63.86 -35.34 80.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.726 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -68.21 -41.11 81.81 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.419 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 27' ' ' ASP . 60.5 t -64.1 -38.85 83.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mt -66.82 -47.96 70.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.291 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 95.4 mt -62.16 -44.05 97.48 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.33 -54.81 35.15 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -59.01 -37.81 77.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 6.1 ptm180 -74.14 -37.86 63.92 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.29 -40.19 62.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.021 1.328 . . . . 0.0 110.383 174.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -41.39 87.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.771 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 55.6 mtmt -63.32 -42.39 99.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.182 178.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.55 -44.15 97.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.221 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.598 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.09 -54.34 34.65 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.411 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.19 -29.61 61.11 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.2 0.6 . . . . 0.0 111.645 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -65.68 -45.34 83.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.87 -32.73 34.84 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.578 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 39.1 mtp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.199 0.523 . . . . 0.0 109.889 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -32.74 73.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.11 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -64.76 -39.57 93.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.855 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.03 -36.02 79.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.535 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.33 -52.01 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.73 -55.08 29.42 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.991 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -67.45 -39.17 85.35 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.455 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.528 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.1 ttpt -55.86 -50.82 69.56 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 124.579 1.152 . . . . 0.0 108.427 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -60.25 -40.39 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.123 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.9 -41.07 90.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.178 0.514 . . . . 0.0 109.914 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.42 -43.33 81.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.761 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 14' ' ' LYS . 73.6 mt -59.35 -39.91 80.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -59.43 -40.59 87.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.463 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.1 mp -64.73 -55.4 20.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.392 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 5.5 m -62.13 -27.54 42.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.667 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.49 -47.09 65.0 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -73.09 -10.55 59.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.101 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 50.9 t-80 -62.86 -39.5 94.6 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.67 36.9 0.04 OUTLIER Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.881 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.3 mt -88.13 152.01 22.3 Favored 'General case' 0 CA--C 1.487 -1.445 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.122 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.26 162.55 26.46 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 173.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.553 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 13.6 t-80 -62.17 -38.53 89.39 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 118.932 0.787 . . . . 0.0 110.582 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.63 -28.91 68.85 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.23 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 30.8 mmtp -66.77 -45.63 77.9 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.23 -43.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.744 0.653 . . . . 0.0 109.58 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 74.4 mt -61.81 -54.6 39.97 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.081 0.552 . . . . 0.0 111.15 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -39.2 93.51 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.345 0.403 . . . . 0.0 111.526 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.68 -52.99 38.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.108 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.1 p -58.04 -37.99 75.41 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 15.9 ptm180 -73.91 -44.41 55.23 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.614 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.38 -30.21 65.86 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.795 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.452 ' O ' HG13 ' B' ' 42' ' ' ILE . 41.5 tp -64.65 -48.43 74.84 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 123.328 0.651 . . . . 0.0 110.2 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.92 -43.23 91.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.914 0.864 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -65.28 -40.57 94.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 C-N-CA 125.399 1.48 . . . . 0.0 111.895 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 2.3 tm? -62.14 -41.72 98.54 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.683 ' O ' ' HG3' ' B' ' 46' ' ' MET . 61.6 mt -68.97 -49.44 63.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.605 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -53.72 -32.41 51.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.203 0.601 . . . . 0.0 112.276 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -57.54 -40.65 79.32 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 122.019 0.914 . . . . 0.0 109.759 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -90.47 -22.05 21.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.084 -0.962 . . . . 0.0 113.424 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.683 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 53.8 mtp . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 121.159 0.504 . . . . 0.0 110.856 -177.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.13 -44.51 95.37 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -37.32 86.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.87 178.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.99 -40.96 99.34 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.37 -39.81 92.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.556 177.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.09 -50.52 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.86 -52.47 64.98 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.047 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -66.56 -40.29 88.95 Favored 'General case' 0 C--N 1.312 -1.047 0 O-C-N 123.721 0.638 . . . . 0.0 111.607 -174.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -67.82 -42.47 81.43 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.147 0.499 . . . . 0.0 110.153 -177.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.6 ttpt -60.54 -45.25 94.57 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.118 0.967 . . . . 0.0 109.212 174.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 38.2 mttp -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 122.852 0.461 . . . . 0.0 111.684 178.292 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.71 -39.84 74.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.729 174.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.95 -44.71 72.46 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.0 mt -57.26 -40.03 71.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 94.0 mt-30 -65.19 -33.12 75.26 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.002 178.326 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.06 -49.92 39.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.292 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.6 t -61.05 -33.27 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-O 121.59 0.71 . . . . 0.0 110.215 175.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.36 69.54 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.004 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -67.19 -19.52 65.57 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.728 0.299 . . . . 0.0 111.517 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.8 t-80 -57.81 -29.53 64.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.04 174.168 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.75 39.98 0.25 Allowed Glycine 0 N--CA 1.431 -1.649 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.29 177.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.8 mt -94.95 147.41 23.41 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.979 177.074 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.478 ' O ' HG21 ' A' ' 31' ' ' VAL . 8.8 m-20 -72.87 168.01 19.79 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 175.287 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.608 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.4 t-80 -58.16 -42.89 86.97 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.261 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.18 -39.95 94.41 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.106 178.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.0 mmtm -63.93 -47.51 80.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 27' ' ' ASP . 58.7 t -58.98 -42.43 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.391 0.432 . . . . 0.0 109.966 178.515 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 72.6 mt -65.69 -46.95 77.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.31 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.99 -46.63 89.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.33 0.394 . . . . 0.0 110.295 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.77 -53.25 58.52 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.108 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -59.79 -41.64 91.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -72.34 -36.97 68.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.646 -178.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.63 -40.83 72.88 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -61.9 -47.11 86.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.722 176.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.31 -49.57 75.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.41 -31.74 72.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 52.3 tp -65.79 -43.79 87.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.409 0.623 . . . . 0.0 109.54 175.824 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' A' ' 46' ' ' MET . 76.2 mt -67.4 -47.17 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -33.37 70.68 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.411 0.444 . . . . 0.0 110.859 178.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.4 ttmm -57.49 -49.04 77.58 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.443 0.64 . . . . 0.0 109.672 176.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.89 -19.26 58.97 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.63 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 53.1 mtp . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.366 0.603 . . . . 0.0 110.079 175.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.4 mmmt -61.29 -39.25 89.74 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.47 176.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.4 -42.12 98.77 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.453 0.471 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -61.18 -45.23 95.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.499 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.25 -50.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 30.1 mm-40 -55.96 -51.93 65.94 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.7 0.625 . . . . 0.0 110.512 178.094 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -59.45 -46.96 87.27 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -68.01 -38.66 82.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.883 0.373 . . . . 0.0 110.155 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.53 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -56.43 -48.84 76.17 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 108.963 176.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 60.1 mtpt -64.98 -39.72 93.89 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.949 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.513 ' O ' HD21 ' B' ' 20' ' ' LEU . 47.4 mt-10 -58.59 -40.59 83.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.964 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.3 mt -53.76 -40.84 45.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 O-C-N 123.958 0.786 . . . . 0.0 109.115 179.273 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -56.92 -42.05 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.013 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.513 HD21 ' O ' ' B' ' 16' ' ' GLU . 2.0 mm? -69.87 -48.68 57.85 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.721 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 17.0 t -62.57 -35.19 69.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-O 121.329 0.585 . . . . 0.0 110.942 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -45.12 76.35 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.709 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -75.76 -5.29 45.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 0.0 111.038 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 33.4 t-80 -68.58 -38.95 81.12 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.13 39.15 0.03 OUTLIER Glycine 0 N--CA 1.433 -1.533 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.872 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' B' ' 30' ' ' LYS . 63.3 mt -96.38 118.44 32.91 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-O 121.869 0.843 . . . . 0.0 110.304 176.044 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.73 67.03 5.39 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.773 -177.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.248 1.819 . . . . 0.0 115.221 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.24 -34.61 77.82 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.52 ' HB3' HD23 ' B' ' 26' ' ' LEU . 43.3 mmtm -61.8 -42.36 98.92 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.626 174.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.25 -45.45 98.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 85.0 mt -58.65 -57.36 13.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.653 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.7 -39.67 85.36 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 123.318 0.386 . . . . 0.0 111.567 -178.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 57.2 t80 -60.9 -53.39 57.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.706 177.094 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -36.19 76.57 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.0 mtt180 -66.89 -45.62 77.46 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 122.722 0.409 . . . . 0.0 111.344 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.5 t70 -74.45 -38.44 62.98 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.034 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.48 -45.49 93.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 175.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.63 -40.7 88.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.502 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 21.3 pttp -76.03 -33.7 59.65 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.669 -177.472 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.75 -38.32 90.68 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.178 0.513 . . . . 0.0 110.131 177.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.615 ' O ' ' HG3' ' B' ' 46' ' ' MET . 64.6 mt -71.2 -59.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.003 -178.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.06 -31.73 61.36 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 123.266 0.626 . . . . 0.0 111.776 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.15 -56.14 25.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.247 0.619 . . . . 0.0 110.081 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.31 -26.76 64.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.79 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 61.6 mtp . . . . . 0 C--N 1.315 -0.933 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 pt20 . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 120.938 0.399 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.01 -45.53 70.3 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 5.5 mmmt -65.49 -34.54 78.5 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.827 176.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.7 -38.82 90.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.5 mttm -62.65 -47.11 85.14 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.319 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 20' ' ' LEU . 81.3 mt -55.1 -49.1 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.171 175.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 13.0 mm-40 -57.35 -52.19 66.37 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 123.226 0.329 . . . . 0.0 110.516 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.92 -43.96 91.21 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.836 0.71 . . . . 0.0 110.984 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.25 -48.25 68.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.095 -178.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.5 ttpt -56.91 -44.4 82.34 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 124.513 1.125 . . . . 0.0 109.532 176.327 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 29.7 mtpp -64.93 -38.28 90.43 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.717 177.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.2 mt-10 -56.8 -41.32 77.54 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.346 0.594 . . . . 0.0 109.444 175.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -71.0 -44.53 65.72 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.419 -179.034 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.4 mt -58.91 -42.42 85.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 24.2 mt-30 -64.69 -32.31 73.93 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.775 177.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 89.8 mt -67.34 -53.32 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.532 -0.27 . . . . 0.0 111.443 176.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.0 m -62.69 -31.7 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.356 176.3 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.75 81.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.493 -179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.8 ptp180 -67.15 -18.93 65.5 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.614 0.571 . . . . 0.0 111.115 -178.073 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 41.9 t-80 -60.61 -28.93 68.9 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.807 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.33 41.25 0.2 Allowed Glycine 0 N--CA 1.427 -1.933 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.617 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 26.7 mt -91.04 151.12 21.16 Favored 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.618 175.216 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' HG21 ' A' ' 31' ' ' VAL . 28.9 m-20 -73.07 164.81 26.15 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 172.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.628 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 38.6 t-80 -60.54 -37.24 80.56 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 176.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.54 -45.81 77.18 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.899 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.5 mmtm -68.61 -39.99 80.61 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.957 -177.259 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 27' ' ' ASP . 48.7 t -61.86 -42.04 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.6 mt -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.95 -45.35 90.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.04 -51.53 63.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.084 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -64.13 -35.25 80.14 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 1.7 ptm180 -72.34 -43.37 64.18 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.203 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.78 -44.62 80.85 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.7 -45.05 82.05 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.954 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.86 -38.72 86.89 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.168 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 1.3 mptm? -66.79 -39.5 87.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.803 175.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.78 -45.81 88.96 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.14 0.495 . . . . 0.0 109.799 175.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 46' ' ' MET . 60.1 mt -64.41 -46.89 91.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.736 177.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -54.63 -39.29 67.81 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 120.648 0.261 . . . . 0.0 110.853 178.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.87 -48.91 78.45 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.253 1.021 . . . . 0.0 111.052 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -81.09 -30.31 34.71 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.34 -178.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 98.8 mmm . . . . . 0 C--N 1.315 -0.893 0 CA-C-O 121.339 0.59 . . . . 0.0 109.44 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.472 0.177 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.63 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.329 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -70.74 -38.33 73.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.807 177.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' A' ' 17' ' ' LEU . 45.9 mt -59.75 -45.35 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.419 177.204 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -52.78 -55.43 22.95 Favored 'General case' 0 CA--C 1.507 -0.712 0 O-C-N 123.964 0.79 . . . . 0.0 111.07 175.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.9 -46.76 78.3 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.924 0.765 . . . . 0.0 111.696 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -65.21 -44.43 88.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.133 0.492 . . . . 0.0 110.991 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.9 ttpt -55.73 -48.04 75.89 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 124.576 1.15 . . . . 0.0 108.963 176.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.502 -1.226 . . . . 0.0 112.154 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.2 -44.24 75.14 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.24 -45.26 85.32 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.8 mt -58.65 -44.39 89.59 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 -178.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -59.38 -35.76 74.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.41 . . . . 0.0 110.611 177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 10' ' ' ILE . 6.1 mp -67.12 -54.33 22.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.772 176.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.56 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.4 m -65.74 -27.02 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 CA-C-O 121.335 0.588 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.51 60.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.22 -15.79 63.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.977 0.418 . . . . 0.0 111.26 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 18.8 t-80 -57.29 -32.94 67.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.454 171.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.54 40.41 0.19 Allowed Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.374 178.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 20.9 mt -80.02 145.43 32.52 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.601 0.715 . . . . 0.0 112.296 177.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.03 162.91 25.86 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 172.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.447 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 41.8 m80 -57.92 -43.11 86.04 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 118.062 0.392 . . . . 0.0 110.492 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -64.0 -35.59 81.21 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.864 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.479 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 32.2 mmtp -62.23 -45.05 95.06 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -177.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.58 -43.76 98.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.338 0.589 . . . . 0.0 109.482 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.8 mt -66.62 -46.25 76.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.728 -178.515 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.9 mt -68.03 -40.0 82.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.29 -51.1 65.16 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.325 0.391 . . . . 0.0 110.727 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -57.44 -45.08 85.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -73.03 -31.43 64.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 12.1 t70 -76.51 -40.82 48.98 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.65 -46.76 88.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.615 174.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.71 -45.1 93.15 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.39 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 55.9 pttt -69.21 -33.2 72.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.032 -177.779 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.01 -37.56 86.22 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.493 ' O ' ' HG3' ' B' ' 46' ' ' MET . 55.9 mt -68.8 -53.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.233 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -51.69 -38.23 54.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.995 177.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.74 -56.11 24.3 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.67 0.606 . . . . 0.0 109.946 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -73.79 -24.71 59.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.636 -177.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 18.8 mtp . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.671 0.272 . . . . 0.0 110.925 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.75 -44.97 82.24 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.355 1.034 . . . . 0.0 110.402 177.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -43.8 95.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 178.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -66.52 -35.06 79.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.484 178.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.18 -42.46 99.38 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -59.83 -47.77 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.132 176.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 31.2 mm-40 -53.41 -52.38 59.56 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 124.063 0.852 . . . . 0.0 110.647 177.34 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -59.42 -48.1 82.91 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.191 -178.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.2 -36.57 79.77 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.095 0.474 . . . . 0.0 110.4 -176.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.57 -45.87 92.31 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 109.03 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.26 -40.78 94.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.234 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 49.6 mt-10 -55.62 -41.3 73.31 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.337 0.589 . . . . 0.0 109.858 174.609 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -45.74 69.41 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 178.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 15' ' ' LYS . 67.0 mt -54.96 -41.7 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 23.0 mt-30 -58.18 -44.17 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.455 0.702 . . . . 0.0 110.529 176.29 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 83.9 mt -66.63 -46.01 77.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 26' ' ' LEU . 49.0 t -59.76 -41.99 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 174.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.86 71.27 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.619 0.768 . . . . 0.0 111.949 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 20' ' ' LEU . 16.2 ptm180 -65.55 -19.01 65.75 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 25.7 t60 -59.05 -30.33 67.96 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 -2.67 1.65 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.724 -1.227 . . . . 0.0 113.768 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.4 mp -61.67 145.44 52.26 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 178.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 31' ' ' VAL . 10.1 t70 -80.23 162.14 24.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.202 -1.363 . . . . 0.0 108.518 173.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.629 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 73.8 m80 -50.95 -40.41 57.34 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.786 0.834 . . . . 0.0 110.922 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.11 -40.44 86.86 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.401 0.619 . . . . 0.0 110.243 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.09 -43.45 92.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.542 179.448 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 27' ' ' ASP . 97.6 t -62.35 -44.06 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 123.117 0.567 . . . . 0.0 109.727 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 66.5 mt -63.41 -52.96 59.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 179.432 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -58.32 -42.33 86.5 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 120.607 0.242 . . . . 0.0 111.121 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HG23 ' A' ' 21' ' ' VAL . 72.8 t80 -59.83 -51.45 69.69 Favored 'General case' 0 N--CA 1.435 -1.178 0 O-C-N 124.198 0.936 . . . . 0.0 111.024 177.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -67.03 -31.81 72.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.803 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 41.2 mtp85 -68.8 -40.28 79.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 109.884 178.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.13 -44.59 65.29 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 tp -57.35 -49.12 77.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.784 1.234 . . . . 0.0 111.752 177.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.68 -47.85 83.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 109.924 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.82 -34.04 77.42 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.155 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.92 -41.29 99.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.612 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.6 mt -66.01 -55.17 20.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.369 178.018 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -53.86 -33.43 56.32 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.985 0.914 . . . . 0.0 111.275 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.66 -48.31 79.87 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 124.3 1.04 . . . . 0.0 110.631 177.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.23 -28.02 34.99 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.6 mtp . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 176.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -63.46 -37.4 87.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.272 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.6 -28.61 67.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.497 179.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -75.69 -32.84 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.9 -44.67 98.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.995 173.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 36.6 mm-40 -54.94 -49.83 70.37 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 123.845 0.716 . . . . 0.0 109.31 174.319 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.63 -52.3 60.33 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -67.88 -40.22 83.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.866 -176.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -53.8 -50.84 65.25 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.481 1.112 . . . . 0.0 108.475 174.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.61 -42.36 98.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.663 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -45.62 81.01 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.477 0.656 . . . . 0.0 110.493 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -42.12 82.0 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.698 -178.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.2 mt -59.17 -40.81 81.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.919 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.76 -27.85 69.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -75.96 -50.03 16.07 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.331 178.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 1.1 m -65.93 -27.57 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.822 176.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.37 -43.48 77.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -72.36 -8.61 55.88 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.424 . . . . 0.0 111.809 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 38.8 t-80 -64.95 -26.11 68.16 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.269 172.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.79 38.16 0.22 Allowed Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.602 -0.809 . . . . 0.0 113.486 177.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 46.7 mt -93.41 151.98 19.4 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 121.58 0.705 . . . . 0.0 111.735 177.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.566 ' O ' HG22 ' B' ' 31' ' ' VAL . 13.1 m-20 -82.22 163.46 21.87 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 173.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.643 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 50.4 m80 -52.13 -39.88 60.54 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.088 0.404 . . . . 0.0 110.672 178.36 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.65 -47.36 85.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.479 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -63.16 -40.85 98.75 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.86 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.566 HG22 ' O ' ' B' ' 27' ' ' ASP . 33.2 t -62.55 -44.16 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.772 177.289 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.3 mt -63.33 -44.78 93.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.88 -41.06 92.03 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.367 0.417 . . . . 0.0 111.489 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -64.93 -49.09 71.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.44 178.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.4 p -61.43 -38.43 87.1 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 13.3 ptm180 -73.51 -37.24 65.74 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.11 -42.03 76.65 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.91 -41.66 97.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.996 177.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.269 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.5 -35.87 81.33 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.513 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.24 -44.64 96.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.354 0.597 . . . . 0.0 109.908 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' ' HG2' ' B' ' 46' ' ' MET . 44.3 mt -68.97 -51.15 47.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.667 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.55 -27.92 68.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.802 0.334 . . . . 0.0 111.77 -179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.93 -54.59 43.1 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.761 0.824 . . . . 0.0 108.915 174.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.426 ' HB3' HD23 ' A' ' 26' ' ' LEU . 40.5 m-85 -74.74 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 14.6 mmt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.4 mt-30 . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 121.156 0.503 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.76 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HG2' ' HE3' ' A' ' 46' ' ' MET . 1.3 tmmm? -60.66 -42.25 96.67 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.349 0.66 . . . . 0.0 109.446 -179.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.01 -35.26 80.08 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.1 mmmt -69.23 -39.3 78.62 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.29 -52.19 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -50.98 -52.12 45.91 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 123.967 0.792 . . . . 0.0 111.064 177.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.84 -49.26 77.25 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.742 -178.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -70.02 -37.81 75.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.108 0.48 . . . . 0.0 110.356 -176.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.7 ttpt -59.78 -44.33 93.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.669 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.54 -38.33 86.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.017 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.38 -39.0 75.13 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.18 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HG21 ' A' ' 21' ' ' VAL . 15.7 tp -69.85 -45.44 67.76 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.177 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.5 mt -56.4 -42.81 75.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 123.371 0.419 . . . . 0.0 109.996 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.79 -34.05 75.19 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 177.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.03 -50.22 30.32 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.385 -0.197 . . . . 0.0 110.76 177.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' LEU . 36.9 t -59.51 -38.0 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 121.397 0.618 . . . . 0.0 110.177 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.3 -52.06 51.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.656 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.72 -19.0 65.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.638 -177.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.07 -42.65 81.03 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.05 38.25 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.116 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.703 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 47.1 mt -92.17 150.83 20.7 Favored 'General case' 0 CA--C 1.483 -1.616 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.779 176.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.36 158.64 27.4 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 172.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.626 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.5 t-160 -54.14 -34.23 59.83 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 123.277 0.361 . . . . 0.0 110.398 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 t70 -63.68 -46.01 87.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 178.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.1 mmtp -59.35 -43.99 92.73 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.047 178.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.9 -42.24 91.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 122.429 0.292 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 55.7 mt -63.14 -46.06 89.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 62.3 mt -66.86 -46.3 75.47 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.456 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE1' HG12 ' B' ' 42' ' ' ILE . 57.0 t80 -61.79 -49.29 76.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 123.643 0.589 . . . . 0.0 111.696 -178.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 p -57.37 -46.16 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.365 0.416 . . . . 0.0 111.74 -177.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.23 -30.79 62.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.83 -46.58 35.59 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.7 tp -59.02 -43.42 91.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.807 176.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.6 -37.8 79.52 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.727 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.37 -31.2 42.84 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.424 -0.91 . . . . 0.0 110.769 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 4.8 tt -61.48 -37.7 84.58 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.616 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.3 mt -68.43 -55.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.386 178.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -54.98 -29.17 56.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.2 1.0 . . . . 0.0 112.02 177.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.7 ttmt -60.85 -46.9 88.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.414 1.086 . . . . 0.0 109.594 175.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -83.08 -29.49 28.73 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.55 -179.008 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.616 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 78.6 mtp . . . . . 0 C--N 1.318 -0.795 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.93 71.66 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -58.46 -45.07 89.35 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.035 172.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -70.74 -32.42 69.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.849 177.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mt -59.11 -48.56 86.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -52.72 -55.17 24.61 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 123.688 0.618 . . . . 0.0 109.942 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 5.9 t30 -51.48 -51.57 53.96 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.029 0.83 . . . . 0.0 112.373 178.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.11 -44.67 75.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.049 0.452 . . . . 0.0 111.274 -174.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.437 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.2 ttpt -57.28 -43.79 83.43 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 124.124 0.97 . . . . 0.0 109.606 177.002 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -72.52 -32.97 66.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.711 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 42.9 mt-10 -59.84 -40.91 90.14 Favored 'General case' 0 C--N 1.343 0.308 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 173.191 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.468 ' O ' HG22 ' B' ' 21' ' ' VAL . 15.3 tp -67.68 -44.77 76.99 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.617 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.55 -43.68 65.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 123.575 0.547 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 49.0 mt-30 -65.94 -29.36 69.75 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.453 178.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.449 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 78.2 mt -74.73 -48.72 24.21 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.37 -0.206 . . . . 0.0 110.784 176.395 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.1 t -61.58 -31.88 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.479 0.657 . . . . 0.0 109.563 176.275 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -44.26 77.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.004 177.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 12.6 ptp180 -76.45 0.32 20.17 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.227 0.537 . . . . 0.0 111.778 -178.301 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.544 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 23.0 t-80 -67.79 -27.58 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.376 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.63 32.33 0.66 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.156 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.3 mt -76.17 148.11 37.99 Favored 'General case' 0 CA--C 1.488 -1.416 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.617 178.121 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.49 160.51 32.59 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.563 171.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.521 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 3.0 t60 -55.46 -43.73 75.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -178.189 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.78 -35.21 79.83 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.479 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.1 mmtm -64.98 -44.68 88.53 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 123.491 0.495 . . . . 0.0 111.608 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.76 -45.07 98.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.5 mt -58.22 -55.07 39.78 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.84 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -42.33 98.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.044 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.33 -49.9 75.1 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.356 0.41 . . . . 0.0 110.54 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -60.11 -32.44 70.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -74.72 -52.01 12.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.094 0.473 . . . . 0.0 110.626 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.21 -40.49 96.28 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.385 -174.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -71.82 -37.73 70.28 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.586 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.93 -44.09 97.01 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.69 -39.26 88.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.85 177.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.82 -42.59 93.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.422 HD13 ' CD ' ' B' ' 14' ' ' LYS . 69.9 mt -71.85 -44.33 67.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.264 178.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.31 -33.55 67.81 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.151 0.5 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.93 -49.14 75.96 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.716 177.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.59 -28.95 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.417 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 4.3 mmt . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.96 -41.25 78.22 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 172.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 11.1 mmmt -58.83 -38.28 78.32 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.321 174.316 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.54 -41.26 89.64 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.81 0.694 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -65.0 -47.14 78.57 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -57.43 -50.04 78.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.417 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 14.5 mm-40 -54.57 -51.51 65.02 Favored 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 123.842 0.714 . . . . 0.0 111.025 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.7 t30 -61.68 -47.49 85.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.317 0.385 . . . . 0.0 111.53 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.32 -40.41 97.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.05 0.452 . . . . 0.0 110.213 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.0 ttpt -57.7 -52.38 65.68 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 109.258 176.217 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 7.1 mtpm? -65.81 -34.0 77.14 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.771 -177.563 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 38.8 mt-10 -62.73 -42.72 99.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.0 175.063 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' HG21 ' A' ' 21' ' ' VAL . 12.2 tp -64.25 -46.41 83.88 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.024 178.008 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.3 mt -54.56 -44.76 70.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 123.953 0.783 . . . . 0.0 110.023 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.524 0.515 . . . . 0.0 111.157 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.35 -47.63 66.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.565 ' O ' HD12 ' A' ' 26' ' ' LEU . 21.3 t -63.56 -37.32 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 120.958 0.409 . . . . 0.0 109.922 176.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -65.11 -50.55 65.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.306 0.642 . . . . 0.0 112.489 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -61.71 -19.27 62.21 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.477 0.311 . . . . 0.0 111.834 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 44.6 t-80 -57.44 -28.48 63.35 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.575 0.75 . . . . 0.0 111.155 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.32 -2.6 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.185 -1.484 . . . . 0.0 114.007 178.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -60.52 149.73 33.61 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.34 176.42 7.54 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.286 177.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.42 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 16.1 m-70 -66.22 -43.63 86.12 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.509 -178.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.84 -32.02 73.15 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 178.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.27 -45.71 79.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.456 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.98 -40.48 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 78.8 mt -61.75 -53.51 55.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 177.634 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.864 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.86 -52.0 62.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.8 p -66.15 -38.1 87.29 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.4 ptm180 -68.69 -34.02 74.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.953 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.9 -48.04 48.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 42' ' ' ILE . 31.3 tp -54.3 -50.74 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.769 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.76 -48.68 78.97 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.306 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.89 -36.57 83.77 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.733 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.51 -45.76 92.62 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.373 0.669 . . . . 0.0 110.387 177.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.636 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.1 mt -64.39 -56.84 14.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.734 -178.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.3 -29.37 61.11 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.069 0.948 . . . . 0.0 111.872 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.65 -49.82 69.51 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.647 0.779 . . . . 0.0 109.919 175.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -73.82 -33.1 64.03 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.637 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 68.2 mtp . . . . . 0 C--N 1.308 -1.211 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 mmmt -63.18 -36.74 84.63 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.041 177.021 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.46 -43.03 97.31 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.516 0.51 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.5 -46.61 89.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.01 -51.04 73.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 O-C-N 123.855 0.722 . . . . 0.0 110.206 178.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 31.4 mm-40 -57.22 -52.97 63.17 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.561 0.538 . . . . 0.0 111.208 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.73 -49.64 74.61 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 123.809 0.693 . . . . 0.0 110.924 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.78 -46.83 77.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.002 -176.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 32.8 ttpt -57.0 -46.42 82.31 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.606 1.163 . . . . 0.0 110.208 177.085 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 8.0 mtpm? -67.49 -36.01 80.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.124 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' NE2' ' B' ' 19' ' ' GLN . 47.4 mm-40 -60.93 -35.81 77.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.14 0.495 . . . . 0.0 111.037 174.002 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.4 HD12 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -72.31 -45.46 59.87 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.873 177.337 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 87.3 mt -54.69 -43.42 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.483 0.489 . . . . 0.0 110.156 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' B' ' 16' ' ' GLU . 43.8 mt-30 -59.08 -39.41 82.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.128 176.788 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.56 -48.64 66.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.044 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.565 ' O ' HD12 ' B' ' 26' ' ' LEU . 25.4 t -60.0 -42.67 90.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.036 0.446 . . . . 0.0 110.148 175.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 112.103 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.09 -9.94 55.14 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 49.5 t-80 -66.47 -30.14 70.41 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 120.775 0.321 . . . . 0.0 110.426 176.038 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.72 5.51 0.25 Allowed Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 119.258 -1.449 . . . . 0.0 113.842 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.565 HD12 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -63.76 151.18 42.81 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.853 0.835 . . . . 0.0 113.222 176.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.47 ' O ' HG22 ' B' ' 31' ' ' VAL . 5.0 m-20 -85.6 169.18 13.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 173.275 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.521 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 64.8 m80 -60.49 -39.22 86.92 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 117.917 0.326 . . . . 0.0 110.74 179.282 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 52.9 m-20 -63.98 -39.68 94.67 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.159 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -58.7 -44.41 90.31 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 27' ' ' ASP . 43.8 t -62.13 -46.05 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.465 0.478 . . . . 0.0 109.819 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.9 mt -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.66 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.7 mt -70.43 -39.43 74.4 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -65.1 -51.98 58.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.301 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 p -60.49 -37.86 82.45 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -73.1 -36.68 66.81 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.997 -178.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 14.1 t70 -69.59 -45.18 69.22 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.139 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.553 176.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.34 -41.04 88.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.909 -179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 12.8 pttm -70.91 -33.7 70.81 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.557 -177.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.35 -38.02 89.52 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' B' ' 46' ' ' MET . 74.5 mt -68.1 -55.18 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.803 179.312 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.43 -42.76 61.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.484 0.713 . . . . 0.0 111.072 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.16 -48.46 78.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 178.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD23 ' A' ' 26' ' ' LEU . 43.8 m-85 -80.03 -25.2 40.27 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.328 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.7 mtp . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 26.1 mm-40 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.821 0.343 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.4 -50.18 16.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.83 -34.05 72.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.588 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 13.5 t-20 -57.77 -41.54 82.21 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.288 1.435 . . . . 0.0 110.471 177.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 44.5 mmtm -75.36 -32.47 60.86 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.1 mt -67.91 -44.43 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.949 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 11.4 mm-40 -58.76 -50.62 73.25 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.702 0.626 . . . . 0.0 110.051 177.391 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.68 -50.22 74.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.87 -179.096 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.48 -41.78 92.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.188 0.518 . . . . 0.0 110.544 -175.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.9 ttpt -59.9 -44.8 94.05 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 124.294 1.037 . . . . 0.0 109.617 175.53 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 62.4 mtpt -65.94 -37.35 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.38 -42.28 81.83 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.116 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.6 -46.15 80.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.387 178.919 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.3 mt -57.54 -41.8 79.74 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 123.661 0.601 . . . . 0.0 110.032 -178.435 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.43 -39.47 93.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 176.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.9 -49.8 55.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.61 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.521 ' O ' HD12 ' A' ' 26' ' ' LEU . 6.8 p -66.31 -31.75 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.779 177.324 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -60.28 -51.54 69.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.791 0.329 . . . . 0.0 110.582 175.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -66.63 -17.62 64.93 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 32.6 t-80 -54.56 -41.45 69.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.296 173.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.77 -7.48 0.13 Allowed Glycine 0 N--CA 1.438 -1.226 0 C-N-CA 119.496 -1.335 . . . . 0.0 112.914 -176.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.57 144.56 31.31 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-O 122.164 0.983 . . . . 0.0 113.392 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' HG21 ' A' ' 31' ' ' VAL . 7.9 m-20 -78.35 159.78 28.19 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.457 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -64.6 -26.93 68.62 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 118.314 0.506 . . . . 0.0 111.898 178.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.3 t70 -68.05 -40.35 82.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.61 173.518 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -61.16 -38.25 85.79 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.154 177.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 27' ' ' ASP . 59.1 t -65.09 -38.52 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 123.53 0.519 . . . . 0.0 109.828 -178.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -47.0 79.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.775 177.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 63.0 mt -66.65 -45.1 80.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.558 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 87.6 t80 -61.64 -52.35 64.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.08 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.4 p -62.49 -37.2 85.08 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -175.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.94 -41.43 64.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -178.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.96 -45.71 66.82 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 42' ' ' ILE . 40.8 tp -54.97 -50.07 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.599 1.16 . . . . 0.0 111.558 178.4 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.45 -47.47 76.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.097 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -67.84 -34.8 77.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.067 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.24 -40.61 90.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.056 0.455 . . . . 0.0 110.329 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.8 mt -65.97 -56.99 12.34 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.046 -179.691 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.97 -31.26 66.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.24 -178.471 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.84 -49.67 75.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.56 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.04 -33.77 63.85 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.435 -179.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 62.6 mtp . . . . . 0 C--O 1.216 -0.703 0 O-C-N 123.612 0.57 . . . . 0.0 110.612 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -34.46 78.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.761 179.085 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.128 177.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.02 -37.59 86.29 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 177.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.23 -47.62 91.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.865 176.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -59.58 -50.02 75.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.82 -52.17 51.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.701 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.83 -38.18 73.23 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.643 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.562 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.3 ttpt -56.63 -50.02 73.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.475 0.71 . . . . 0.0 109.248 175.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -60.45 -40.3 90.66 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.313 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -57.83 -41.38 82.16 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.252 0.548 . . . . 0.0 110.635 176.132 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.17 -45.11 77.98 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.844 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.562 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -56.88 -43.89 81.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.14 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.183 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -77.96 -47.44 18.55 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.097 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.73 -27.36 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 0 CA-C-O 121.464 0.649 . . . . 0.0 110.2 177.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.69 -45.62 71.17 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.187 178.352 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -75.08 -1.0 20.93 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.344 0.592 . . . . 0.0 111.643 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.5 t-80 -72.0 -29.0 63.77 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.792 171.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.57 -8.3 0.86 Allowed Glycine 0 CA--C 1.508 -0.358 0 C-N-CA 119.174 -1.489 . . . . 0.0 114.065 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -56.58 141.41 43.28 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.525 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 4.5 m-20 -75.5 176.08 7.9 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.491 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 62.2 m170 -68.59 -38.81 80.95 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.263 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -32.05 72.57 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 120.521 0.2 . . . . 0.0 110.737 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 31.4 mmtm -59.73 -45.63 91.58 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.485 HG22 ' O ' ' B' ' 27' ' ' ASP . 60.5 t -62.58 -43.96 98.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.387 179.748 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 94.2 mt -60.98 -52.88 63.14 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.182 0.593 . . . . 0.0 111.633 178.641 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.87 -39.83 95.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.7 -52.67 41.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 54.6 p -59.01 -39.4 81.75 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -175.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -73.34 -37.07 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.731 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -69.15 -40.81 77.97 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.93 -50.11 74.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.349 175.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.45 -45.91 84.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.961 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -56.3 -47.01 79.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 125.332 1.453 . . . . 0.0 110.502 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.78 -41.77 95.6 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.682 ' O ' ' HG3' ' B' ' 46' ' ' MET . 53.4 mt -67.83 -51.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.071 -178.176 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.31 -35.43 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.954 0.502 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.49 -45.32 92.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.732 178.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -78.72 -32.76 46.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.3 mtp . . . . . 0 N--CA 1.47 0.53 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.178 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.5 mm-40 . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 120.817 0.341 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.95 -51.68 68.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.728 -177.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -67.19 -28.48 68.13 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.057 179.545 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.66 -41.53 88.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.475 178.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.3 mmmt -68.7 -37.49 79.57 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.69 -51.5 69.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 175.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 33.3 mm-40 -52.83 -52.83 55.61 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 123.612 0.57 . . . . 0.0 111.452 178.022 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 45.8 t30 -60.07 -47.56 85.35 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.767 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 3.0 tppp? -69.51 -38.67 77.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -176.628 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 32.2 ttpt -59.44 -45.08 92.58 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.486 0.715 . . . . 0.0 109.657 175.457 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 28.4 mtpp -62.67 -42.71 99.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.205 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 mm-40 -55.91 -41.08 73.98 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 176.123 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.13 -45.23 81.77 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.814 178.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.4 mt -57.76 -43.02 83.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.725 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 70.9 mt-30 -59.16 -41.33 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.616 0.573 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.3 mt -66.38 -49.58 66.37 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.816 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.4 m -65.44 -31.34 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.889 177.179 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.13 68.49 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.245 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -67.58 -18.54 65.03 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.721 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.5 t-80 -55.26 -40.54 71.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 172.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.81 45.81 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.825 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.356 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.9 mt -93.8 147.77 22.75 Favored 'General case' 0 CA--C 1.477 -1.859 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.592 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 8.7 m-20 -65.94 160.26 23.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 171.07 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.558 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -63.9 -33.73 76.35 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.82 177.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.25 -35.36 80.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.467 174.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.7 mmtm -63.57 -45.14 91.83 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.8 -43.98 85.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.3 mt -61.02 -53.56 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.572 177.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.4 -39.69 94.06 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.578 -178.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.435 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 81.5 t80 -64.75 -50.1 68.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 178.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 p -64.55 -34.88 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 83.2 mtp180 -67.76 -44.27 77.89 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.651 178.292 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 11.2 t70 -72.94 -40.74 65.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.174 -176.756 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.6 -44.66 96.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.934 177.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -34.97 79.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.37 -177.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.4 pttm -69.74 -33.73 72.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.069 -178.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.83 -37.53 86.48 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 46' ' ' MET . 64.1 mt -73.31 -44.41 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.093 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -57.34 -36.91 71.76 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.834 0.35 . . . . 0.0 110.782 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.8 -48.47 78.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.899 178.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.22 -28.03 42.51 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.2 mmt . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 173.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 10' ' ' ILE . 2.6 tm? . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -38.14 89.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.727 0.411 . . . . 0.0 109.999 177.457 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.61 -42.27 98.64 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.649 0.78 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.69 -37.24 82.02 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.689 176.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 6' ' ' LEU . 64.4 mt -59.63 -51.07 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.136 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 63.1 mm-40 -54.62 -52.57 61.84 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 123.619 0.574 . . . . 0.0 110.084 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.82 -45.07 90.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.614 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.452 ' HA ' ' CE ' ' B' ' 13' ' ' LYS . 0.7 OUTLIER -70.22 -40.5 74.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.7 -175.701 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.2 ttpt -57.87 -46.35 84.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.323 175.201 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 30.3 mtpp -66.92 -41.41 87.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.826 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.1 mt-10 -58.37 -36.11 72.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 174.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.502 ' O ' HG21 ' B' ' 21' ' ' VAL . 15.4 tp -68.55 -48.3 64.64 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.951 176.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.3 mt -53.36 -44.83 55.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 123.722 0.639 . . . . 0.0 110.248 179.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.34 -33.11 73.07 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.562 0.539 . . . . 0.0 111.292 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 88.9 mt -74.2 -46.9 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.273 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.502 HG21 ' O ' ' B' ' 17' ' ' LEU . 38.8 t -58.84 -38.27 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-O 121.394 0.616 . . . . 0.0 109.663 175.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -66.11 -49.41 67.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.025 0.93 . . . . 0.0 111.803 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 7.7 ptm180 -69.67 -6.33 30.83 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.909 0.385 . . . . 0.0 111.952 -177.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 29.0 t-80 -67.52 -35.87 79.92 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.233 174.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.03 -5.99 0.27 Allowed Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.753 -1.213 . . . . 0.0 112.718 -177.145 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -59.27 141.7 53.73 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.528 ' O ' HG22 ' B' ' 31' ' ' VAL . 27.0 m-20 -88.76 175.39 7.51 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.485 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 t-80 -56.93 -39.79 75.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.172 0.442 . . . . 0.0 110.637 -176.751 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.1 t70 -54.26 -47.31 72.43 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 124.538 1.135 . . . . 0.0 110.594 176.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -65.23 -37.77 88.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.4 -178.008 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.528 HG22 ' O ' ' B' ' 27' ' ' ASP . 20.2 t -68.33 -39.21 80.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.1 mt -63.48 -57.69 9.41 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.828 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 61.8 mt -62.84 -37.09 85.43 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.529 -175.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.6 -50.75 63.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.751 178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.3 p -60.31 -38.38 83.52 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 93.9 mtt180 -65.53 -51.97 56.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.214 0.606 . . . . 0.0 111.21 178.79 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.05 -36.32 77.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.602 -174.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.6 -44.04 87.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.614 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.53 -48.53 81.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.086 -178.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -57.9 -42.83 85.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.522 177.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.2 -45.23 95.45 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.587 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.5 mt -66.26 -50.77 65.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.592 -179.448 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.28 -37.29 64.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.215 0.606 . . . . 0.0 111.159 178.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.86 -51.46 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.124 176.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.42 -33.17 64.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 36.8 mtp . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 121.333 0.587 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 CA--C 1.516 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.83 -43.51 92.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -59.83 -39.91 86.68 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.991 175.228 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -62.38 -41.98 99.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.726 0.641 . . . . 0.0 109.601 178.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.08 -49.84 75.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 177.2 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.58 -49.38 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.522 179.465 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 50.1 mt-10 -59.27 -51.63 69.15 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 123.697 0.623 . . . . 0.0 110.944 178.597 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.62 -44.91 90.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 123.146 0.578 . . . . 0.0 111.783 -178.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -67.14 -41.5 86.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -178.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.8 ttpt -56.9 -46.92 81.59 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 124.735 1.214 . . . . 0.0 109.294 173.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -66.87 -37.01 83.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -178.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.48 -36.46 78.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.415 174.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -44.95 62.32 Favored 'General case' 0 N--CA 1.426 -1.675 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.986 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.4 mt -58.29 -40.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.414 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.45 -32.97 74.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.049 177.175 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.78 -50.45 35.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.958 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.0 t -61.37 -34.24 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-O 121.388 0.613 . . . . 0.0 110.521 177.217 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -50.41 57.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.12 -19.24 64.26 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 123.358 0.411 . . . . 0.0 111.598 -177.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -54.46 -41.09 69.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 174.143 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.23 37.98 0.13 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.411 -178.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 16.6 mt -83.74 149.48 26.43 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 121.745 0.783 . . . . 0.0 111.516 178.005 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.7 m-20 -74.28 161.44 29.9 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 174.145 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -59.75 -39.54 85.12 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.593 0.711 . . . . 0.0 109.648 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.1 m-20 -65.37 -27.05 68.3 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.54 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 34.1 mmtp -75.7 -46.21 32.52 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -177.166 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.21 -43.79 86.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 123.892 0.745 . . . . 0.0 109.648 178.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 29' ' ' ASP . 3.8 pp -69.65 -40.33 76.55 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.5 mt -69.44 -38.97 78.07 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.833 0.349 . . . . 0.0 110.558 179.035 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -64.6 -52.43 57.58 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 p -59.38 -37.54 78.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.55 -36.34 63.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.7 -44.03 52.14 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.63 -48.93 71.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.312 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.23 -38.26 86.0 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.875 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.84 -36.92 67.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.945 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.12 -42.26 90.18 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 69.5 mt -64.63 -57.25 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.248 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -51.81 -40.01 59.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 0.0 111.647 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.38 -50.72 72.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 111.128 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.88 -38.3 73.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 178.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 57.5 mtp . . . . . 0 C--N 1.321 -0.655 0 CA-C-O 121.349 0.595 . . . . 0.0 109.534 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.462 0.126 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.598 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 1.1 mmmt -60.7 -39.31 88.03 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 176.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -69.45 -33.98 73.73 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.246 0.341 . . . . 0.0 110.513 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -59.43 -46.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.47 -47.13 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.717 177.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 28.1 mm-40 -55.8 -50.26 70.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.69 0.619 . . . . 0.0 110.386 177.327 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -57.72 -48.4 79.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.434 0.458 . . . . 0.0 111.445 177.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -65.85 -44.01 86.74 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.463 0.477 . . . . 0.0 110.786 -176.602 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.9 ttpt -55.04 -51.66 65.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 125.089 1.356 . . . . 0.0 108.613 174.665 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.3 mtpm? -63.06 -39.72 95.57 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.837 -179.729 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -57.81 -45.37 86.2 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.268 0.556 . . . . 0.0 110.062 175.686 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -42.95 90.04 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.145 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 14' ' ' LYS . 81.0 mt -59.01 -41.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 27.3 mt-30 -62.53 -32.51 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.638 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 98.0 mt -72.52 -50.19 27.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.5 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.2 m -63.21 -26.35 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.814 175.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.35 66.47 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.341 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -71.97 -6.97 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 111.34 -179.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 34.6 t-80 -67.81 -28.71 67.81 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 171.561 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.92 44.7 0.29 Allowed Glycine 0 N--CA 1.431 -1.655 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.094 178.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.0 mt -86.9 156.41 19.84 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.054 175.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.472 ' O ' HG22 ' B' ' 31' ' ' VAL . 16.5 m-20 -67.81 157.78 33.99 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 169.461 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.603 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.2 t-80 -61.06 -35.74 77.73 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.22 -41.0 96.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.056 176.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.9 mmtm -61.94 -44.1 97.48 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.688 178.424 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 27' ' ' ASP . 26.5 t -60.12 -43.84 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 76.3 mt -62.54 -46.01 90.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.207 179.114 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -36.85 76.38 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -68.54 -49.16 61.66 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 ptm180 -67.09 -35.55 80.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.503 -178.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.79 -46.54 62.68 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.26 -40.93 83.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.763 179.04 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.79 -47.66 76.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.35 177.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' B' ' 40' ' ' LYS . 11.3 mptt -69.48 -32.76 71.86 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.9 -42.35 77.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.37 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.93 -50.19 50.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.649 179.61 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.93 -25.91 65.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 111.767 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.18 -55.15 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 175.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.76 -27.21 63.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.868 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 CA--C 1.512 -0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.984 176.439 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.49 -46.2 90.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.004 177.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.16 92.4 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 177.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.17 -35.63 80.98 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.379 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.81 -45.13 87.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.159 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -55.32 -47.5 77.83 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.214 174.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 38.0 mm-40 -55.19 -52.98 61.58 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 123.65 0.594 . . . . 0.0 110.887 177.537 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.91 -47.64 84.27 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 123.438 0.461 . . . . 0.0 111.999 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -38.93 81.43 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -175.287 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.7 ttpt -59.85 -48.85 80.03 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 124.381 1.072 . . . . 0.0 109.026 174.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 28.9 mtpp -64.04 -42.79 96.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 42.2 mt-10 -56.78 -39.63 74.41 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 0.0 109.751 175.609 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.56 -46.12 67.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.482 179.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 14' ' ' LYS . 87.5 mt -55.03 -42.37 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -178.724 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 91.8 mt-30 -62.19 -38.41 89.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.343 178.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 97.3 mt -70.04 -46.93 63.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.61 ' O ' HD12 ' A' ' 26' ' ' LEU . 21.9 t -62.22 -41.43 91.39 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.975 174.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.97 -51.73 68.42 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.518 0.727 . . . . 0.0 111.848 -179.296 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -64.87 -18.32 65.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.43 -177.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 40.1 t-80 -58.64 -30.91 67.66 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.661 0.601 . . . . 0.0 111.132 176.284 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.05 0.41 0.18 Allowed Glycine 0 C--O 1.227 -0.306 0 C-N-CA 119.079 -1.534 . . . . 0.0 113.973 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 21' ' ' VAL . 9.6 mp -66.03 161.93 20.54 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 121.59 0.71 . . . . 0.0 112.089 177.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' HG21 ' A' ' 31' ' ' VAL . 21.6 m-20 -107.02 175.29 5.55 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.019 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 7.7 p80 -54.31 -47.71 72.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.678 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 p-10 -58.7 -38.78 79.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -68.1 -39.56 82.79 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.619 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 27' ' ' ASP . 44.4 t -64.43 -41.77 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 88.7 mt -61.37 -50.93 70.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.621 177.148 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 95.8 mt -60.11 -46.6 89.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.126 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.04 -51.85 66.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 p -62.69 -38.67 91.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -72.75 -37.95 67.53 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.586 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.69 -40.38 72.94 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.9 -42.64 99.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.219 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.48 -44.41 97.15 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.184 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.29 -38.25 90.39 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.14 -41.36 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.129 0.49 . . . . 0.0 110.063 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.63 -45.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.217 177.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -59.42 -29.12 67.52 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.051 178.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.45 -49.73 62.36 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 123.742 0.817 . . . . 0.0 111.138 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -77.07 -33.23 57.16 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 C--N 1.305 -1.366 0 CA-C-O 121.577 0.703 . . . . 0.0 109.617 177.93 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -34.85 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.65 -40.48 97.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.789 177.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.72 -36.75 76.17 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.166 176.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.79 -51.62 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 37.3 mm-40 -56.54 -50.37 72.08 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.652 0.595 . . . . 0.0 110.217 176.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -55.26 -47.57 75.27 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.181 0.593 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.74 -41.77 78.52 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 123.627 0.579 . . . . 0.0 110.129 -175.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.1 ttpt -56.25 -50.23 71.91 Favored 'General case' 0 C--O 1.21 -0.974 0 C-N-CA 124.228 1.011 . . . . 0.0 108.734 174.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD13 ' B' ' 18' ' ' ILE . 28.9 mtpp -63.81 -36.28 83.38 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.316 0.646 . . . . 0.0 112.005 -179.159 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.43 -45.04 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 109.31 174.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.421 ' C ' HD12 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -67.46 -42.67 82.65 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.739 -179.307 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.4 mt -56.91 -40.17 70.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 -178.269 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.87 -36.38 83.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.36 -51.81 57.94 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 177.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.536 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 16.8 t -62.1 -32.26 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 CA-C-O 121.6 0.714 . . . . 0.0 110.477 175.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.43 -48.91 68.49 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.675 179.164 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -69.5 -8.43 46.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.971 0.508 . . . . 0.0 112.042 -178.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.536 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 11.0 t-80 -63.38 -43.85 96.42 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 171.803 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.6 39.41 0.08 OUTLIER Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 120.388 -0.911 . . . . 0.0 111.834 -178.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.7 mt -85.81 148.83 25.64 Favored 'General case' 0 CA--C 1.479 -1.778 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.698 176.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 158.56 28.88 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 172.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.549 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 42.7 m-70 -59.8 -33.64 72.0 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.09 -33.91 65.88 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.144 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 63.1 mmtt -62.72 -41.44 99.16 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.73 178.101 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.6 -42.38 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 87.4 mt -64.2 -48.41 76.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.041 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.63 -41.44 88.32 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 76.0 t80 -62.16 -50.67 70.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -57.52 -43.25 84.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.354 0.409 . . . . 0.0 111.968 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 14.0 ptm180 -79.53 -19.82 48.64 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.412 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.47 -35.0 23.29 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.533 179.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.515 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 6.9 tt -72.38 -32.94 66.85 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.045 -0.979 . . . . 0.0 108.566 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.17 -44.5 95.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.96 177.191 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.3 mttp -53.46 -47.3 69.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.319 177.152 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -48.72 80.55 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.152 -175.643 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.1 mt -61.07 -56.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.216 -179.194 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -52.93 -40.45 63.63 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 123.74 0.65 . . . . 0.0 110.755 -179.115 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -56.68 -49.55 74.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.407 ' HB3' HD23 ' A' ' 26' ' ' LEU . 41.4 m-85 -79.86 -20.67 45.39 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -178.079 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 80.5 mtp . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.68 -47.62 80.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 4.0 mmmt -63.2 -36.78 84.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.45 177.391 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.965 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -68.71 -34.97 76.54 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 175.289 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.95 -47.19 94.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 176.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 27.5 mm-40 -55.47 -47.71 75.67 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.639 0.587 . . . . 0.0 110.211 175.52 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.01 -46.44 89.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.576 -179.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -69.27 -38.5 78.43 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.89 0.376 . . . . 0.0 110.615 -176.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -54.46 -52.44 61.84 Favored 'General case' 0 C--O 1.216 -0.691 0 C-N-CA 124.967 1.307 . . . . 0.0 108.532 174.148 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HA ' HD13 ' A' ' 18' ' ' ILE . 27.5 mtpp -62.87 -39.45 94.47 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.319 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 8.1 mm-40 -55.22 -47.89 74.69 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 174.671 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.34 -43.76 85.17 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.581 179.291 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 14' ' ' LYS . 80.3 mt -55.57 -38.58 50.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.401 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 44.4 mt-30 -58.88 -42.65 90.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.309 176.079 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 16' ' ' GLU . 2.6 mm? -67.22 -45.6 76.34 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.024 178.388 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.577 ' O ' HD12 ' A' ' 26' ' ' LEU . 17.7 t -64.05 -39.3 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.087 177.823 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -46.68 81.79 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 122.814 0.446 . . . . 0.0 111.953 -178.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 14.9 ptm180 -65.85 -18.43 65.33 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.687 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.7 t-80 -57.7 -35.03 70.07 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 174.643 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.56 6.5 0.61 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.485 -1.34 . . . . 0.0 114.768 178.235 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -57.17 149.77 19.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 178.015 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' HG22 ' A' ' 31' ' ' VAL . 4.9 m-20 -73.78 174.06 8.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.203 176.015 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -65.37 -42.27 92.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -69.48 -32.77 71.88 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.423 -178.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 43.4 mmtm -62.88 -43.3 99.16 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 27' ' ' ASP . 48.9 t -63.67 -37.69 80.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.76 -50.14 63.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.487 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.7 -45.43 92.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.06 -51.13 69.22 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.885 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -62.05 -40.68 96.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 13.9 ptm180 -74.19 -32.61 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.173 -178.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.82 -44.48 61.42 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 42' ' ' ILE . 22.1 tp -56.63 -45.51 81.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.97 177.111 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -60.48 -41.47 94.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.887 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 67.4 mttm -66.94 -42.73 84.79 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.444 178.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.19 -44.12 87.89 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.682 ' O ' ' HG3' ' A' ' 46' ' ' MET . 61.4 mt -62.77 -56.81 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.479 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -52.86 -33.73 51.12 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 122.887 0.475 . . . . 0.0 112.258 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -59.4 -49.95 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.506 0.722 . . . . 0.0 110.33 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.43 ' HB3' HD23 ' B' ' 26' ' ' LEU . 33.6 m-85 -78.72 -30.02 45.67 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.496 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.7 mtp . . . . . 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.211 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -60.84 -39.69 90.02 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.258 175.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.32 -41.23 84.1 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 123.566 0.542 . . . . 0.0 110.664 178.123 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.3 -39.14 78.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.518 178.467 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.78 -51.29 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -58.0 -52.54 65.08 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.396 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -56.09 -49.99 72.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.12 0.968 . . . . 0.0 112.518 -178.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.48 -39.8 77.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.551 -176.424 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.57 -50.04 74.41 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 123.825 0.85 . . . . 0.0 108.863 173.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -58.45 -39.52 80.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.688 0.795 . . . . 0.0 112.227 179.024 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -64.22 -39.83 94.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.679 0.276 . . . . 0.0 111.425 175.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -44.78 83.58 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 176.702 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.3 mt -57.97 -42.15 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.624 179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.97 -24.91 67.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.711 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.5 -51.26 8.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.945 178.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.442 HG22 ' CE2' ' B' ' 34' ' ' PHE . 11.9 m -62.82 -28.97 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.304 176.018 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.08 -42.28 94.27 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.556 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -79.25 -7.19 58.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.42 ' CD2' ' HE3' ' A' ' 46' ' ' MET . 54.4 t-80 -67.48 -29.55 69.02 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.751 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.52 -11.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.762 -1.208 . . . . 0.0 113.207 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.66 140.16 36.41 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.515 ' O ' HG22 ' B' ' 31' ' ' VAL . 13.2 m-20 -79.19 165.53 23.18 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 113.567 -1.651 . . . . 0.0 106.651 175.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.462 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.3 t-80 -54.37 -43.88 71.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.125 0.488 . . . . 0.0 110.643 178.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.64 -41.03 98.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.474 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 32.9 mmtm -56.87 -46.06 82.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.958 176.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG22 ' O ' ' B' ' 27' ' ' ASP . 54.7 t -60.59 -44.14 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.128 -178.1 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.2 mt -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' B' ' 21' ' ' VAL . 86.2 t80 -58.7 -52.14 66.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 p -59.32 -41.2 88.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 12.0 ptm180 -76.77 -33.83 58.04 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.74 -178.218 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.07 -39.93 75.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.253 1.025 . . . . 0.0 108.594 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.66 -36.48 83.79 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.717 176.748 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.55 -47.68 82.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.8 mtpt -54.95 -42.83 72.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.277 177.517 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.99 -42.42 99.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.614 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.3 mt -66.11 -50.0 72.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.02 -33.31 56.89 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.342 1.057 . . . . 0.0 111.767 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.28 -51.81 67.35 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.471 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -77.04 -26.2 53.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.614 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.9 mtp . . . . . 0 C--O 1.219 -0.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 175.508 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 120.451 0.167 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.65 -47.21 84.71 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.733 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HE2' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.96 -40.14 94.55 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.161 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -60.37 -40.48 90.94 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.182 0.593 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.98 -39.54 83.29 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.663 176.594 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' B' ' 20' ' ' LEU . 82.7 mt -56.65 -45.33 82.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 172.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 8.0 mm-40 -57.44 -52.35 65.75 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 123.721 0.638 . . . . 0.0 109.676 176.919 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 6.5 t30 -58.11 -45.72 86.77 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.174 -179.445 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.88 -43.36 79.55 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.655 0.782 . . . . 0.0 110.961 -176.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' O ' HG13 ' A' ' 18' ' ' ILE . 35.1 ttpt -55.1 -49.96 70.38 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.102 1.361 . . . . 0.0 108.811 175.449 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -64.47 -40.17 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' HD21 ' A' ' 20' ' ' LEU . 47.3 mt-10 -55.64 -44.91 77.58 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 109.577 175.112 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -42.88 81.03 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.867 -178.143 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 14' ' ' LYS . 68.6 mt -57.84 -39.33 70.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.137 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 88.7 mt-30 -62.09 -41.29 98.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.079 177.177 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 16' ' ' GLU . 1.2 mm? -62.64 -49.95 73.13 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.725 176.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.553 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.7 m -66.72 -32.15 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 118.943 -1.103 . . . . 0.0 111.808 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.93 82.84 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.082 -0.386 . . . . 0.0 111.82 -178.088 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -75.79 -18.74 59.4 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.264 178.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 39.9 t-80 -56.73 -46.7 81.17 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.02 0.438 . . . . 0.0 110.2 176.255 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 6.56 0.08 OUTLIER Glycine 0 N--CA 1.434 -1.484 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.512 -178.075 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.58 0.705 . . . . 0.0 112.453 173.744 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' HG21 ' A' ' 31' ' ' VAL . 3.7 m-20 -73.68 171.14 13.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.713 178.432 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -60.14 -47.06 87.5 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.337 0.589 . . . . 0.0 110.194 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 6.6 p-10 -64.2 -34.44 78.09 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.1 -44.05 93.49 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.506 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 27' ' ' ASP . 46.6 t -61.16 -40.38 85.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.64 -54.36 28.74 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.298 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.5 mt -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.172 -177.253 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.86 -50.42 70.98 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 123.572 0.545 . . . . 0.0 110.495 178.398 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -59.66 -37.24 78.2 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.685 0.279 . . . . 0.0 111.517 -178.714 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -66.99 -50.35 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.288 0.635 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.06 -41.84 77.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.968 -176.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.45 -48.77 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.8 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.52 -43.43 98.88 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.077 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.99 -39.98 96.38 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 124.252 1.021 . . . . 0.0 110.964 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.81 -40.67 95.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.553 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.6 mt -65.58 -54.0 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.721 179.162 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -55.05 -34.9 63.94 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.43 -49.73 76.66 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.381 0.61 . . . . 0.0 109.908 177.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.65 -33.21 53.53 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.45 -178.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 27.3 mtp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.282 0.563 . . . . 0.0 110.007 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.451 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 2.9 mmmt -64.19 -34.21 77.55 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.044 176.318 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -66.03 -32.31 73.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.066 0.46 . . . . 0.0 109.904 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.79 -42.55 73.62 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.263 173.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 20' ' ' LEU . 77.9 mt -59.81 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.409 177.214 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 22.6 mm-40 -56.81 -46.07 81.83 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.825 176.784 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.01 -45.04 94.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.8 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -67.54 -42.9 81.96 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 123.236 0.335 . . . . 0.0 110.491 -177.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -54.43 -51.12 65.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.639 1.176 . . . . 0.0 108.611 175.155 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.38 -36.63 82.9 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.5 -43.91 97.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.235 0.541 . . . . 0.0 109.838 175.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.431 ' CD2' HG22 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -67.06 -44.39 80.24 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.942 -178.837 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 65.4 mt -58.07 -40.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.526 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.46 -37.41 85.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.209 177.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.3 mp -65.7 -54.4 27.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 177.336 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 10.1 m -61.66 -28.95 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.612 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.77 70.92 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -73.1 -8.99 58.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.563 -178.334 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.7 t-80 -61.06 -38.7 87.12 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 37.71 0.1 OUTLIER Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.863 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.1 mt -84.67 147.84 26.72 Favored 'General case' 0 CA--C 1.478 -1.799 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.901 177.328 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.427 ' O ' HG22 ' B' ' 31' ' ' VAL . 10.0 m-20 -74.93 160.5 30.52 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 173.102 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.7 t-80 -51.72 -42.93 62.63 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.583 0.552 . . . . 0.0 110.58 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.57 -38.32 89.2 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.5 mmtt -62.11 -45.48 93.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.236 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 27' ' ' ASP . 28.4 t -60.26 -41.43 86.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.637 178.903 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.9 mt -64.92 -55.69 17.78 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.03 179.458 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.71 -36.5 78.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.478 -177.277 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.16 -51.7 50.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 177.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -62.3 -35.79 80.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.4 mtt180 -64.96 -52.85 54.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.22 177.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.57 -44.68 96.59 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.094 -177.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.4 -45.31 91.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.246 178.005 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.38 -45.37 93.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.187 0.518 . . . . 0.0 109.855 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.0 mtpp -63.19 -48.85 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.641 178.562 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.46 -44.9 85.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.665 0.786 . . . . 0.0 110.974 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.712 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.7 mt -62.49 -59.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.593 179.383 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.39 -34.32 66.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.509 0.506 . . . . 0.0 111.901 -177.635 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.15 -51.87 67.58 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.444 0.698 . . . . 0.0 110.157 177.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.98 -33.36 70.35 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.688 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.712 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 58.6 mtp . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 19.4 mm-40 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.616 0.246 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.72 -49.84 69.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.711 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.62 -34.47 77.1 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.853 0.358 . . . . 0.0 110.597 177.448 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -66.15 -41.22 90.68 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 123.454 0.702 . . . . 0.0 109.343 179.576 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.9 mmtm -65.97 -34.76 78.84 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 175.872 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.99 -46.84 92.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.873 175.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 38.7 mm-40 -57.66 -47.27 82.75 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.475 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.72 -53.49 51.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 124.787 1.235 . . . . 0.0 111.497 179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -68.77 -40.02 79.93 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 -175.134 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.1 ttpt -57.81 -49.8 75.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.175 0.99 . . . . 0.0 109.192 175.766 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -65.57 -36.07 82.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.577 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.1 mt-10 -59.29 -44.21 92.5 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 174.054 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.77 -42.45 77.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.714 -178.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -58.57 -43.45 87.21 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.016 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.54 -32.68 73.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.908 177.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.0 mt -69.44 -52.02 30.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.281 177.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.541 ' O ' HD12 ' A' ' 26' ' ' LEU . 12.1 m -62.99 -32.38 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.492 175.62 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.95 -46.16 89.04 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 123.062 0.545 . . . . 0.0 111.72 -179.293 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.1 ptp180 -68.92 -18.3 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.868 -179.305 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.5 t-80 -59.28 -32.94 70.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.007 0.523 . . . . 0.0 110.807 175.512 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.69 -13.98 0.51 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.504 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -52.72 141.01 22.12 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' HG21 ' A' ' 31' ' ' VAL . 5.3 m-20 -80.39 171.04 15.57 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 177.146 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 23.4 t-80 -64.98 -36.08 83.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.156 0.434 . . . . 0.0 110.542 -178.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.9 p-10 -62.61 -37.63 87.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 178.711 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -65.38 -41.03 94.17 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.938 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 27' ' ' ASP . 62.1 t -65.2 -39.55 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.691 -179.133 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 mt -62.95 -47.62 82.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 176.462 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 72.8 mt -64.35 -43.7 93.75 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 123.483 0.489 . . . . 0.0 111.265 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.86 -49.16 69.14 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.139 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -60.29 -41.13 92.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.401 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -70.13 -40.64 74.71 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.752 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -74.35 -38.23 63.28 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.125 -179.019 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.05 -45.82 93.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.792 176.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.5 -49.27 76.85 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.593 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.6 -33.4 75.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.814 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.39 -40.59 93.66 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.3 mt -66.48 -53.13 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.853 177.788 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.57 -38.66 60.4 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.367 0.667 . . . . 0.0 110.634 178.123 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -58.03 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.818 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -85.18 -35.63 21.55 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 54.5 mtp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.508 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 6.5 mmmt -61.46 -35.49 77.77 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.806 174.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -55.04 -50.18 69.73 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.01 176.415 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.93 -35.5 76.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.424 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.36 -51.46 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 123.558 0.536 . . . . 0.0 110.723 176.496 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.1 mm-40 -57.88 -47.84 81.6 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 123.653 0.595 . . . . 0.0 110.905 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.37 -43.46 90.71 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -64.45 -43.44 94.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.259 0.552 . . . . 0.0 109.763 -178.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.524 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.1 ttpt -54.12 -52.01 62.4 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.119 1.368 . . . . 0.0 108.906 174.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.6 mtpm? -60.76 -44.5 96.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.562 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -56.19 -40.03 73.33 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.922 0.392 . . . . 0.0 110.463 176.723 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.405 ' C ' HD12 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -69.36 -44.11 72.25 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.421 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.524 HG13 ' O ' ' B' ' 14' ' ' LYS . 74.6 mt -58.24 -41.73 81.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.743 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 23.9 mt-30 -60.33 -37.48 80.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.17 177.468 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 91.0 mt -68.13 -51.52 45.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.548 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.3 m -63.53 -28.89 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.994 176.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.17 -38.05 72.17 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -81.32 0.25 37.92 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.731 178.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.0 t-80 -69.27 -34.0 74.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 167.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.59 46.59 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.602 177.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.9 mt -89.63 144.51 25.94 Favored 'General case' 0 CA--C 1.473 -2.006 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.057 178.093 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.418 ' O ' HG22 ' B' ' 31' ' ' VAL . 30.1 m-20 -77.58 164.11 25.65 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.562 173.277 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.59 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 40.6 p-80 -50.65 -44.38 57.46 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 123.772 0.67 . . . . 0.0 112.127 -177.239 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.36 -47.08 79.62 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.741 178.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.5 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 34.2 mmtp -62.32 -42.71 99.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.436 -176.636 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 27' ' ' ASP . 12.1 t -64.42 -43.99 97.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.662 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.738 ' O ' ' HG2' ' B' ' 36' ' ' ARG . 88.7 mt -60.12 -58.29 9.18 Favored 'General case' 0 CA--C 1.492 -1.256 0 C-N-CA 123.581 0.752 . . . . 0.0 111.313 178.217 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.0 -34.19 75.73 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 123.605 0.566 . . . . 0.0 112.029 -176.512 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 89.1 t80 -72.69 -49.66 29.95 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.806 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.9 p -58.79 -40.54 84.35 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -176.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.738 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 9.6 ptm180 -68.41 -48.44 64.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 177.148 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.84 -28.13 58.13 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.131 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.12 -43.86 93.99 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 172.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.8 -43.81 97.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.616 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 66.8 mttm -63.39 -43.14 98.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.352 178.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -40.16 96.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.706 179.006 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.563 ' O ' ' HG3' ' B' ' 46' ' ' MET . 59.1 mt -64.02 -54.53 30.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.954 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -57.42 -34.29 68.77 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -54.19 -45.86 72.27 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.745 0.818 . . . . 0.0 110.095 176.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD23 ' A' ' 26' ' ' LEU . 33.5 m-85 -84.5 -23.11 29.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.809 -178.552 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 34.4 mtp . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.177 0.513 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 120.252 0.072 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.88 120.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 169.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.84 -22.64 63.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.159 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.63 92.86 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -72.46 -39.49 67.73 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.39 -48.32 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.926 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.7 mmmt -60.5 -35.53 76.18 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.231 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.61 -41.58 96.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.131 0.491 . . . . 0.0 109.732 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.51 -37.69 83.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.237 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.77 -49.11 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.821 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 31.3 mm-40 -54.16 -52.12 62.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 123.684 0.615 . . . . 0.0 110.698 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -56.98 -48.56 78.12 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.728 0.811 . . . . 0.0 112.41 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.99 -41.52 77.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -58.66 -46.23 87.63 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.332 1.053 . . . . 0.0 109.38 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 47.8 mttm -63.94 -41.37 97.63 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 122.818 0.447 . . . . 0.0 111.77 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.38 -37.37 72.56 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.307 0.575 . . . . 0.0 110.138 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.05 -44.76 62.83 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.5 mt -55.97 -40.54 63.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.2 mt-30 -58.79 -40.13 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.7 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.96 -48.79 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 17.6 t -62.46 -35.3 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-O 121.327 0.584 . . . . 0.0 110.309 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.93 56.27 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.471 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.89 -18.86 65.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 43.4 t-80 -55.63 -45.8 77.5 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.62 30.93 0.02 OUTLIER Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.358 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 57.3 mt -94.77 144.77 25.37 Favored 'General case' 0 CA--C 1.47 -2.127 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' VAL . 26.4 m-20 -86.14 170.74 11.91 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 173.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.674 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.4 m80 -60.49 -36.08 77.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -174.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.3 p-10 -64.65 -37.54 87.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 45.5 mmtm -67.84 -44.49 77.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.253 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 27' ' ' ASP . 60.8 t -60.14 -43.95 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.31 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 67.1 mt -62.52 -45.75 91.57 Favored 'General case' 0 CA--C 1.508 -0.652 0 C-N-CA 122.5 0.32 . . . . 0.0 111.016 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 92.1 mt -64.88 -46.23 82.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.31 -52.5 64.42 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.2 p -60.17 -39.38 86.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.76 -34.46 62.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 8.7 t70 -72.39 -44.14 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.05 -44.54 78.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.505 175.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.58 -37.59 86.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.069 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -71.46 -35.54 70.89 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.102 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.2 -36.86 85.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.578 0.704 . . . . 0.0 109.327 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.6 mt -70.9 -46.98 65.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.573 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.34 -33.9 73.08 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.466 0.307 . . . . 0.0 111.457 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.653 ' HA ' ' O ' ' A' ' 48' ' ' VAL . 39.8 ttmt -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.689 0.757 . . . . 0.0 110.846 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.66 -27.61 25.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.575 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mmm -83.94 -29.23 27.25 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.691 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -157.73 -74.35 0.09 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 118.916 -1.114 . . . . 0.0 113.013 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 21.7 m -85.84 111.18 20.68 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.376 0 CA-C-N 113.309 -1.769 . . . . 0.0 112.918 -171.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -94.44 65.84 3.27 Favored 'General case' 0 C--N 1.27 -2.88 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.39 97.3 0.96 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.277 -1.328 . . . . 0.0 110.443 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -106.91 2.57 25.41 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.323 -176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 m -81.12 67.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.983 0 CA-C-O 122.455 1.121 . . . . 0.0 111.409 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -85.6 122.79 30.21 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.309 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -74.78 118.3 17.59 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.942 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -102.69 112.16 24.8 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -75.71 -54.08 7.52 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -89.05 129.55 35.66 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -124.3 115.73 21.5 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 75.39 -66.76 0.27 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.69 1.596 . . . . 0.0 110.484 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -96.5 135.7 38.03 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -78.47 -19.07 53.88 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.432 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 . . . . . 0 C--N 1.3 -1.573 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -176.786 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.059 0.456 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -54.45 113.9 1.46 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.973 1.309 . . . . 0.0 111.159 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.1 mtt -90.0 -10.13 46.09 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.069 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.41 97.0 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -72.82 -31.04 64.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.065 0.459 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.25 -44.81 74.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -63.82 -36.13 82.9 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.951 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.46 -36.31 75.73 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.009 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.77 -43.97 57.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.521 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.38 -49.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.66 0.6 . . . . 0.0 110.268 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.68 -51.62 68.79 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.722 0.638 . . . . 0.0 111.361 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 43.3 t-20 -59.88 -47.98 83.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.206 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.78 -42.48 95.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.678 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.48 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.4 ttpt -55.51 -48.43 74.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.203 1.001 . . . . 0.0 109.001 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.28 -33.1 71.17 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.464 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 45.9 mt-10 -59.58 -42.55 92.78 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.439 ' O ' HG22 ' B' ' 21' ' ' VAL . 12.7 tp -66.92 -49.41 65.64 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.388 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.1 mt -53.71 -45.56 61.08 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 O-C-N 123.685 0.616 . . . . 0.0 110.615 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.93 -28.69 69.12 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.409 0.443 . . . . 0.0 111.794 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 97.9 mt -78.55 -47.92 16.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.376 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.439 HG22 ' O ' ' B' ' 17' ' ' LEU . 21.5 t -61.04 -38.11 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 121.638 0.733 . . . . 0.0 109.808 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.498 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.104 0.962 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -68.46 -14.4 62.97 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.862 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.77 -25.07 65.43 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.816 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.52 -14.51 0.45 Allowed Glycine 0 CA--C 1.494 -1.277 0 C-N-CA 118.923 -1.608 . . . . 0.0 113.022 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.41 135.53 54.06 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-O 121.845 0.831 . . . . 0.0 112.255 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.545 ' O ' HG22 ' B' ' 31' ' ' VAL . 37.9 m-20 -84.92 176.41 8.48 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.374 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.524 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 75.4 m80 -59.84 -41.13 90.73 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.37 -37.46 83.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.903 0.382 . . . . 0.0 110.07 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 62.6 mmtt -60.21 -44.52 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.556 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.545 HG22 ' O ' ' B' ' 27' ' ' ASP . 38.0 t -63.7 -43.26 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.3 mt -61.09 -47.16 87.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.88 -51.01 68.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.29 -47.06 86.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.508 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.5 p -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -72.25 -36.42 69.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 111.566 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.5 -30.27 47.09 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.389 0.614 . . . . 0.0 109.798 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.56 -46.16 73.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -53.93 -50.56 66.18 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.653 0.739 . . . . 0.0 109.737 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -54.21 -44.99 72.11 Favored 'General case' 0 N--CA 1.425 -1.707 0 C-N-CA 126.517 1.927 . . . . 0.0 111.93 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.23 -39.47 92.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.7 mt -65.3 -54.86 23.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.711 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -49.6 -39.05 34.01 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.827 0.851 . . . . 0.0 111.331 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.22 -51.23 70.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.836 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.68 -31.02 52.25 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 78.0 mtp -66.61 -31.5 72.23 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 76.68 -1.79 2.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.718 2.007 . . . . 0.0 109.17 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' B' ' 46' ' ' MET . 41.7 t -92.14 92.02 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.774 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.959 177.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -123.29 28.79 6.94 Favored 'General case' 0 C--N 1.251 -3.698 0 CA-C-N 113.13 -1.85 . . . . 0.0 106.246 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t70 78.95 176.15 0.14 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 111.427 -2.624 . . . . 0.0 109.588 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.454 ' HZ2' ' HB3' ' B' ' 51' ' ' LYS . 0.3 OUTLIER -91.49 14.98 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.726 0.774 . . . . 0.0 111.439 -172.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.82 169.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.414 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -127.52 82.36 2.08 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -69.09 124.33 23.49 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.193 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -70.38 129.24 38.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -129.3 -46.32 1.21 Allowed 'General case' 0 C--N 1.285 -2.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -143.11 -86.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.7 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -85.14 -43.88 13.47 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -140.31 -79.98 0.28 Allowed 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -113.14 177.94 4.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -172.22 139.34 1.05 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 . . . . . 0 C--N 1.289 -2.061 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.557 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 CA--C 1.495 -1.164 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -95.14 159.54 14.97 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.076 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtm -59.44 -23.32 62.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.4 -47.15 64.76 Favored Glycine 0 N--CA 1.459 0.191 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.008 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -67.75 -37.37 82.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.822 0.82 . . . . 0.0 109.202 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.6 -45.66 86.01 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.684 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -61.93 -36.36 81.16 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 122.859 0.464 . . . . 0.0 111.274 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -59.33 -44.15 92.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.93 -41.21 87.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.877 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.8 mt -57.14 -50.45 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.338 0 O-C-N 123.485 0.491 . . . . 0.0 110.425 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.42 -52.4 64.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 123.694 0.621 . . . . 0.0 111.508 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 20.1 m-80 -59.1 -45.19 91.51 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -70.82 -38.48 73.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.065 0.46 . . . . 0.0 110.148 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -61.74 -47.01 87.17 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 109.662 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 61.2 mtpt -62.43 -40.43 96.55 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.767 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 56.5 mt-10 -58.96 -37.45 76.79 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 123.585 0.553 . . . . 0.0 109.593 175.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.6 tp -69.76 -48.14 60.39 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.842 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.5 mt -54.37 -41.1 51.43 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 O-C-N 123.508 0.505 . . . . 0.0 110.019 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 52.1 mt-30 -58.23 -43.09 87.59 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 123.589 0.556 . . . . 0.0 110.578 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.27 -48.95 68.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 17' ' ' LEU . 16.5 t -64.61 -35.26 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 121.402 0.62 . . . . 0.0 110.571 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.38 60.45 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.261 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.56 -18.58 65.43 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 123.706 0.629 . . . . 0.0 111.685 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -57.47 -53.87 53.2 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.0 42.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.537 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 55.6 mt -102.18 143.97 31.31 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.886 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.702 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 2.7 p-10 -85.77 177.62 7.6 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 176.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.665 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.5 t60 -58.37 -38.21 76.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 123.539 0.524 . . . . 0.0 110.418 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.6 t70 -67.43 -39.48 85.44 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.146 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.702 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 33.3 mmtm -67.9 -43.46 79.23 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.068 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 27' ' ' ASP . 43.5 t -60.54 -39.13 80.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 74.5 mt -64.93 -53.77 41.26 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.454 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 85.9 mt -60.81 -41.89 96.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.722 0.296 . . . . 0.0 111.706 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.76 -47.55 80.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.876 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -66.5 -33.01 74.73 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.897 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' LEU . 97.0 mtt180 -63.91 -57.28 10.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 122.757 0.423 . . . . 0.0 110.868 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.7 t70 -72.96 -33.88 66.16 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.077 -171.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.96 -35.98 69.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.096 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.2 -41.02 90.76 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.6 mtpt -58.63 -43.92 89.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.232 174.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.22 -43.38 98.26 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.512 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.657 ' O ' ' HG3' ' A' ' 46' ' ' MET . 63.0 mt -60.51 -53.24 51.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.457 ' C ' HG23 ' A' ' 48' ' ' VAL . 37.9 m-80 -56.17 -36.79 68.72 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -56.5 -43.66 79.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.975 0.91 . . . . 0.0 108.691 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -85.83 -28.18 24.63 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.657 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 91.4 mtp -59.91 -54.86 41.18 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.436 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.598 ' HB2' ' O ' ' A' ' 46' ' ' MET . 57.8 t30 168.69 16.19 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 O-C-N 124.57 1.169 . . . . 0.0 112.778 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.457 HG23 ' C ' ' A' ' 43' ' ' ASN . 7.5 m -94.37 120.27 43.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.721 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -113.61 90.11 3.26 Favored 'General case' 0 N--CA 1.413 -2.325 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.6 143.5 48.61 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 114.128 -1.396 . . . . 0.0 107.772 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -99.62 26.4 6.21 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 122.188 0.994 . . . . 0.0 110.003 179.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.4 m -76.06 -3.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.225 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.18 142.28 31.3 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -82.29 127.44 33.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.002 0.429 . . . . 0.0 111.676 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.79 157.37 18.64 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -84.75 160.77 20.22 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 69.4 m80 -68.8 -46.05 69.65 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 124.213 1.005 . . . . 0.0 109.693 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -141.57 -53.13 0.45 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.682 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.2 t60 68.8 145.22 0.05 OUTLIER 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.17 1.388 . . . . 0.0 113.182 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.98 112.65 12.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.1 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -88.5 136.72 32.85 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 C--N 1.294 -1.814 0 CA-C-O 118.392 -0.813 . . . . 0.0 108.939 -176.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 1.2 mp0 -59.14 121.13 10.55 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.423 1.089 . . . . 0.0 111.5 -176.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -76.58 -21.89 55.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.371 0.605 . . . . 0.0 109.535 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -38.15 94.49 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.841 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 15.9 mm100 -70.14 -35.78 74.31 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.51 -48.43 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 0.2 OUTLIER -64.03 -35.85 82.07 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.83 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.54 -39.6 91.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.989 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 99.1 mttt -66.88 -37.61 84.75 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.166 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.37 -49.41 80.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 7' ' ' LYS . 37.8 mt-10 -60.91 -43.81 98.04 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -55.8 -55.3 34.05 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.384 1.073 . . . . 0.0 111.253 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.401 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 16.1 tppt? -65.18 -44.91 86.94 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.369 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.519 ' O ' HG13 ' B' ' 18' ' ' ILE . 25.5 ttpt -57.91 -43.82 86.42 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.679 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.4 mtpm? -63.11 -37.03 85.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 122.406 0.282 . . . . 0.0 111.447 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.47 -41.03 96.6 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.576 0.703 . . . . 0.0 109.879 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.76 -46.37 75.56 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.295 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 14' ' ' LYS . 92.2 mt -54.31 -42.46 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 123.6 0.562 . . . . 0.0 110.111 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.6 mt-30 -63.57 -35.46 80.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.803 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.95 -49.64 35.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.574 ' O ' HD11 ' B' ' 26' ' ' LEU . 23.2 t -58.65 -39.17 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -56.33 -55.77 29.27 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.322 0.649 . . . . 0.0 111.449 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -70.35 -4.33 21.71 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.437 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 30.0 t-80 -65.89 -36.85 84.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.67 6.71 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.607 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.574 HD11 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -64.12 150.71 45.03 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.511 ' O ' HG21 ' B' ' 31' ' ' VAL . 11.2 m-20 -75.42 163.79 27.05 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.506 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.1 m-70 -67.68 -30.53 70.08 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.491 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.512 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 2.4 m-20 -68.87 -34.33 75.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 12.3 mmtp -62.74 -41.94 99.43 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.511 HG21 ' O ' ' B' ' 27' ' ' ASP . 44.6 t -61.56 -42.69 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.258 0.551 . . . . 0.0 109.561 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 84.2 mt -65.73 -46.08 80.24 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 70.1 mt -70.45 -39.2 74.44 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.842 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -48.61 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.831 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 24.4 p -60.99 -36.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.437 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.3 mtt180 -70.48 -51.23 30.57 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.022 0.529 . . . . 0.0 111.34 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -64.77 -35.54 81.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.575 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tt -78.15 -31.12 49.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' B' ' 35' ' ' SER . 19.6 t70 -66.71 -41.14 88.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -61.78 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.983 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.62 -44.31 89.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.274 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' B' ' 46' ' ' MET . 45.0 mt -67.01 -51.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -57.65 -30.62 65.54 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.43 -51.58 62.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.077 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -73.21 -32.07 64.56 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 92.4 mmm -67.32 -25.79 66.19 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 t30 57.55 67.59 0.95 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.521 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.32 136.3 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.037 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -104.89 97.69 7.53 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.43 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.79 122.9 15.34 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.538 -1.665 . . . . 0.0 111.186 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -92.65 24.28 3.63 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.607 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.86 168.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -99.68 26.71 5.94 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 122.116 0.96 . . . . 0.0 110.436 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -130.59 90.76 2.97 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.63 155.64 19.5 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.746 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -81.89 -62.44 1.63 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 20.1 t60 58.94 -82.57 0.02 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.787 1.635 . . . . 0.0 109.738 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -128.95 85.01 2.28 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -108.1 70.68 0.77 Allowed 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -143.25 108.01 4.88 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -149.82 138.93 21.18 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.223 0.535 . . . . 0.0 112.028 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--N 1.305 -1.331 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 175.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 CA--C 1.5 -0.963 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.51 94.89 4.38 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptm -87.44 -14.87 39.32 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.015 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.16 -49.76 31.71 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 15.9 mm-40 -70.32 -30.22 67.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.715 -0.242 . . . . 0.0 110.724 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.71 -45.19 95.01 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.787 0.679 . . . . 0.0 109.289 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -40.42 93.85 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.624 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.15 -35.49 80.62 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.115 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.79 94.8 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.4 -49.97 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -53.85 -52.23 61.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 123.607 0.567 . . . . 0.0 110.622 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -60.71 -43.79 97.37 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.585 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.72 -40.66 84.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.277 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -57.18 -48.68 78.15 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 124.544 1.138 . . . . 0.0 108.587 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -65.44 -35.61 81.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.277 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.27 -46.74 82.8 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.4 0.619 . . . . 0.0 109.528 170.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -45.9 80.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.68 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 14' ' ' LYS . 93.3 mt -55.03 -41.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 123.406 0.442 . . . . 0.0 110.299 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.48 -34.46 77.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.53 -47.86 37.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.639 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.56 ' O ' HD12 ' A' ' 26' ' ' LEU . 18.1 t -61.83 -38.38 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.864 175.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.57 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.001 0.52 . . . . 0.0 111.857 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -66.81 -17.93 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.34 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 46.6 t-80 -59.49 -32.59 70.41 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.54 -9.91 0.23 Allowed Glycine 0 CA--C 1.505 -0.573 0 C-N-CA 119.08 -1.534 . . . . 0.0 113.538 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.0 mp -63.29 147.33 51.37 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.65 0.738 . . . . 0.0 112.557 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' O ' HG21 ' A' ' 31' ' ' VAL . 11.5 t70 -95.07 179.56 5.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 m80 -57.95 -40.5 80.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 124.656 1.182 . . . . 0.0 110.198 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.7 m-20 -74.89 -32.96 61.97 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.27 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.22 -38.97 92.08 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 27' ' ' ASP . 99.3 t -64.7 -43.54 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 79.4 mt -60.51 -53.57 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.726 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.9 mt -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.052 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.12 -52.69 64.25 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.96 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 p -61.14 -36.09 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.604 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.8 mtp180 -66.12 -51.66 55.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.439 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.72 -34.22 75.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 42' ' ' ILE . 27.7 tp -63.39 -49.63 73.07 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.853 0.861 . . . . 0.0 110.578 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.62 -41.25 98.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.499 0.666 . . . . 0.0 109.826 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -59.34 -38.7 81.04 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 125.333 1.453 . . . . 0.0 111.186 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -69.79 -38.72 76.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.338 0.59 . . . . 0.0 109.728 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.658 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.4 mt -68.38 -55.54 15.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.986 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -53.48 -35.11 60.22 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.72 0.408 . . . . 0.0 111.015 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.95 -48.17 80.73 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 123.87 0.731 . . . . 0.0 110.507 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' O ' HD23 ' B' ' 26' ' ' LEU . 45.1 m-85 -82.28 -30.79 30.4 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 50.7 mtp -69.5 -38.33 77.57 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.8 64.36 0.47 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 125.716 1.606 . . . . 0.0 108.447 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.81 146.72 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.899 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 10.8 mmpt? 66.38 14.48 9.72 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 125.279 1.612 . . . . 0.0 107.907 -169.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 t0 57.2 -173.89 0.08 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.699 2.4 . . . . 0.0 110.627 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -96.53 12.65 30.78 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.657 0.741 . . . . 0.0 109.53 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.62 158.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.807 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -96.9 92.89 6.33 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.839 0.828 . . . . 0.0 111.166 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -100.05 106.51 18.27 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 137.43 53.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 174.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 4.2 tp10 -87.06 104.06 15.97 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.136 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -66.85 -45.58 77.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -154.41 148.25 25.52 Favored 'General case' 0 N--CA 1.424 -1.761 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -127.65 173.77 9.63 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 62' ' ' HIS . 19.1 t-80 73.81 -50.48 0.69 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.173 1.789 . . . . 0.0 109.969 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 63.61 36.53 10.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.371 1.468 . . . . 0.0 109.366 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.4 ' HB3' ' ND1' ' A' ' 60' ' ' HIS . 24.6 t60 . . . . . 0 C--N 1.296 -1.731 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtm . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.9 103.09 3.61 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptm -141.51 -10.37 0.94 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 -41.32 94.92 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.56 -29.71 66.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.273 0.558 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -69.43 -47.75 63.09 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.257 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -32.01 71.48 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.28 -46.24 91.17 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -70.65 -31.87 68.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.0 -52.13 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 34.5 mm-40 -58.65 -48.26 81.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.462 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -58.41 -47.73 82.98 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.869 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -67.6 -39.73 84.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 110.291 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.534 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.5 ttpt -55.11 -51.38 66.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.475 1.11 . . . . 0.0 108.346 174.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.433 ' HB3' ' HZ2' ' B' ' 15' ' ' LYS . 7.7 mtpm? -65.12 -37.61 88.01 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.581 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.31 -45.19 80.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.302 0.573 . . . . 0.0 109.705 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -44.04 73.31 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.335 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.1 mt -57.76 -43.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 O-C-N 123.244 0.34 . . . . 0.0 110.092 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.39 -31.72 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.763 0.316 . . . . 0.0 110.996 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.28 -50.04 36.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.041 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.3 -27.29 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.173 176.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -47.0 65.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.93 -10.64 60.06 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.187 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.6 t-80 -62.85 -34.57 77.64 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.12 41.69 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.206 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 43.8 mt -95.56 148.76 22.17 Favored 'General case' 0 CA--C 1.488 -1.423 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.815 176.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.49 ' O ' HG22 ' B' ' 31' ' ' VAL . 16.4 t70 -74.46 159.92 31.64 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.639 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 m-70 -55.39 -35.68 65.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.882 0.31 . . . . 0.0 111.67 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.974 0.416 . . . . 0.0 110.206 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mmtt -65.69 -44.02 87.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.076 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 27' ' ' ASP . 41.7 t -60.33 -42.67 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.748 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 78.7 mt -63.96 -47.61 79.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.65 -48.69 80.65 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.8 -51.53 67.88 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.113 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -58.92 -41.13 86.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 15.0 ptm180 -73.33 -41.1 63.89 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.608 -178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.84 -31.08 66.14 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.537 0.684 . . . . 0.0 110.045 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.64 -43.34 72.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.909 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.1 -46.91 82.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.22 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.3 mtpp -62.6 -42.44 99.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.529 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.87 -42.32 99.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.925 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.63 ' O ' ' HG3' ' B' ' 46' ' ' MET . 57.7 mt -66.92 -54.65 22.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.155 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.23 -27.48 62.06 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.31 0.644 . . . . 0.0 112.134 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.53 -53.57 49.77 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -74.9 -26.56 59.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.63 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 76.8 mtp -68.39 -21.42 64.7 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 173.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 58.89 72.63 0.52 Allowed 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.367 1.467 . . . . 0.0 109.574 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 21.0 m -76.5 114.32 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.312 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -104.83 69.83 0.89 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 107.595 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' B' ' 51' ' ' LYS . 25.9 t70 -125.72 -170.55 2.2 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.769 -1.559 . . . . 0.0 107.878 -175.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.416 ' H ' ' CG ' ' B' ' 50' ' ' ASP . 62.5 pttt -73.92 34.9 0.09 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.033 0.933 . . . . 0.0 112.944 -176.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.63 176.3 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -76.78 129.25 36.02 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.547 ' C ' ' H ' ' B' ' 56' ' ' GLU . 56.2 mtpt -65.77 118.21 9.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.522 0.677 . . . . 0.0 112.444 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -84.3 33.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.428 1.108 . . . . 0.0 109.113 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' B' ' 54' ' ' LYS . 38.4 tt0 -55.11 -31.14 61.01 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 126.761 2.024 . . . . 0.0 111.148 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.94 -20.61 66.27 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.976 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.52 10.1 40.66 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.296 0.57 . . . . 0.0 110.188 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -125.0 173.86 8.39 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -70.95 106.58 3.7 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 123.802 0.689 . . . . 0.0 111.559 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -132.9 168.25 18.77 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.83 0.452 . . . . 0.0 111.296 179.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 CA--C 1.51 -0.585 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 75.19 136.52 0.06 Allowed 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.734 1.214 . . . . 0.0 109.704 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 23.9 ptp -79.78 -26.42 40.63 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.14 -43.46 47.79 Favored Glycine 0 C--N 1.309 -0.953 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.16 -23.18 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.933 -0.633 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 3' ' ' MET . 3.4 tm? -67.79 -47.29 69.55 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HD3' ' HE2' ' A' ' 46' ' ' MET . 1.9 mmmt -65.05 -36.38 84.16 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.603 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -59.4 -45.82 90.44 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.54 -36.79 79.3 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.69 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.25 -49.08 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.74 -50.91 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.71 0.632 . . . . 0.0 110.77 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.2 -47.73 84.78 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 123.937 0.895 . . . . 0.0 113.384 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -67.59 -37.87 83.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.99 0.424 . . . . 0.0 110.275 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.553 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.4 ttpt -57.55 -51.58 68.88 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.465 1.106 . . . . 0.0 108.465 173.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -60.64 -38.82 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.27 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 34.8 mm-40 -57.45 -41.61 80.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.288 0.367 . . . . 0.0 110.25 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.85 -45.79 73.6 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 177.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 14' ' ' LYS . 63.0 mt -57.25 -41.91 79.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 O-C-N 123.436 0.46 . . . . 0.0 110.09 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 16.4 mt-30 -59.06 -39.54 82.38 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.747 0.419 . . . . 0.0 110.634 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.8 mt -70.34 -47.95 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.614 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.1 p -67.93 -31.66 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 119.644 -0.823 . . . . 0.0 112.315 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.72 -51.93 66.35 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 122.186 -0.321 . . . . 0.0 111.478 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.18 -19.02 61.11 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.781 0.433 . . . . 0.0 111.813 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.6 t-80 -57.58 -32.85 67.56 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.906 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.05 -0.32 0.7 Allowed Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 119.208 -1.473 . . . . 0.0 113.756 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -63.35 146.72 52.93 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 121.417 0.627 . . . . 0.0 112.599 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 31' ' ' VAL . 5.8 m-20 -85.64 175.78 8.56 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.556 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.9 m-70 -65.64 -38.39 89.22 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.302 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.632 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.5 p-10 -62.9 -39.24 93.92 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.53 -44.05 95.36 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.29 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 27' ' ' ASP . 91.7 t -63.89 -41.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.916 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 85.6 mt -61.73 -50.89 70.62 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.675 0.39 . . . . 0.0 110.975 177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 65.3 mt -63.38 -43.17 98.36 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.33 0.394 . . . . 0.0 111.142 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.26 -54.41 37.65 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.739 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 p -60.44 -41.39 93.94 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.3 ptm180 -69.42 -36.58 76.82 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.58 -38.31 59.22 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.883 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.85 -45.67 91.69 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.404 1.082 . . . . 0.0 110.389 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.3 -44.02 83.73 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.084 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HZ1' ' HB2' ' A' ' 40' ' ' LYS . 10.5 mtmp? -65.82 -42.43 90.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.052 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.48 -42.03 91.17 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 123.667 0.604 . . . . 0.0 111.106 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.66 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.8 mt -67.84 -57.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.03 -29.46 63.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.115 0.566 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -50.15 69.33 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.08 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.75 -32.61 65.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 71.0 mtp -60.37 -32.79 71.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.05 65.5 0.79 Allowed 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.663 1.185 . . . . 0.0 109.602 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 m -144.95 168.68 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.105 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -113.32 23.01 13.67 Favored 'General case' 0 C--N 1.282 -2.344 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.62 125.16 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 127.506 2.322 . . . . 0.0 111.519 -175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -115.86 17.66 15.94 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.282 -174.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.42 -27.64 2.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -103.54 83.22 2.13 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 169.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -139.09 147.33 41.83 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -85.02 141.08 30.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.72 145.58 38.57 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -123.57 141.27 52.17 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.112 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -94.7 -14.24 25.0 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -70.29 -5.79 30.36 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -135.01 144.85 47.56 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -89.7 -39.57 13.09 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 . . . . . 0 C--N 1.299 -1.628 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.737 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.89 143.0 36.32 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 25.6 ptm -108.49 -17.91 13.86 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -45.78 91.76 Favored Glycine 0 CA--C 1.502 -0.764 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 7.9 pt20 -58.79 -41.92 87.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.625 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? -68.64 -45.59 71.41 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.151 -178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 3' ' ' MET . 0.0 OUTLIER -64.84 -33.99 77.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -64.47 -42.14 96.1 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.555 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 73.7 mmtt -64.36 -38.53 91.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.15 -46.74 95.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.428 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -58.64 -49.35 77.85 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 9' ' ' LYS . 22.1 t-20 -51.29 -53.61 34.04 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 125.532 1.533 . . . . 0.0 112.118 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.97 -40.36 65.36 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.108 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.2 ttpt -57.84 -47.19 83.41 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.342 0.657 . . . . 0.0 109.607 174.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 37.7 mttp -62.4 -38.29 89.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.631 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.56 -39.12 86.84 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.477 0.656 . . . . 0.0 110.391 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.412 ' C ' HD12 ' B' ' 17' ' ' LEU . 1.1 tm? -69.26 -45.48 69.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.673 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.2 mt -54.99 -42.4 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 98.2 mt-30 -58.34 -39.22 78.91 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.958 176.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.46 -49.66 52.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.476 ' O ' HD12 ' B' ' 26' ' ' LEU . 21.7 t -59.49 -39.82 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.305 0.574 . . . . 0.0 110.193 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.39 -46.75 88.84 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.072 0.549 . . . . 0.0 111.927 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.13 -5.36 41.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 111.542 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 52.2 t-80 -72.1 -30.38 65.02 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.253 176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.44 -7.75 0.53 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.201 -1.476 . . . . 0.0 114.142 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 21' ' ' VAL . 11.1 mp -55.07 143.28 27.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.45 ' O ' HG22 ' B' ' 31' ' ' VAL . 15.8 m-20 -73.81 172.12 12.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.996 -1.456 . . . . 0.0 108.31 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.14 -51.58 68.75 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 123.496 0.718 . . . . 0.0 109.543 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.95 -29.07 67.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.469 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -61.46 -41.72 97.67 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.712 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.45 HG22 ' O ' ' B' ' 27' ' ' ASP . 53.2 t -63.85 -38.35 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.56 -53.45 41.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.361 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.02 -44.15 97.84 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.425 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 80.0 t80 -59.82 -52.44 65.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.601 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -60.6 -46.4 90.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.91 -26.68 60.65 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' HZ1' ' B' ' 40' ' ' LYS . 18.5 t70 -78.22 -39.9 39.02 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.092 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 7.0 tt -67.31 -34.85 78.24 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.639 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -56.28 -46.89 79.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.158 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.479 ' HZ1' ' HA ' ' B' ' 37' ' ' ASP . 35.7 mtmm -61.97 -37.49 84.99 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.604 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -66.27 -40.5 90.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.645 ' O ' ' HG3' ' B' ' 46' ' ' MET . 39.9 mt -67.22 -56.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.609 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -52.86 -33.94 52.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.427 0.691 . . . . 0.0 111.569 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -58.59 -48.2 81.72 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.537 0.735 . . . . 0.0 110.356 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.419 ' HB3' HD23 ' A' ' 26' ' ' LEU . 34.9 m-85 -80.4 -27.48 38.11 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.8 mtp -74.36 -21.29 59.74 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' B' ' 46' ' ' MET . 15.1 m120 65.6 17.73 11.0 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.154 0.981 . . . . 0.0 109.629 -175.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.16 107.29 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.658 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -107.6 40.91 1.61 Allowed 'General case' 0 C--N 1.265 -3.083 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.586 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.23 79.04 2.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.316 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -129.35 12.48 5.99 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.489 -1.687 . . . . 0.0 107.057 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.96 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.281 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -77.2 104.4 7.68 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.824 0.821 . . . . 0.0 109.942 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.9 130.19 34.62 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.68 143.0 46.4 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.139 0.495 . . . . 0.0 111.297 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -115.39 144.02 44.42 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.54 54.23 2.57 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.298 0.571 . . . . 0.0 111.66 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -63.51 -12.24 30.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.926 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -67.21 -31.46 71.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -120.7 -29.54 4.67 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.301 0.572 . . . . 0.0 110.241 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -81.66 106.03 13.28 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.204 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--N 1.287 -2.133 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.001 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm . . . . . 0 CA--C 1.503 -0.827 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.68 122.78 23.75 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.49 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 26.6 ptt? -56.59 -29.94 62.64 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.84 -51.66 38.97 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.2 mt-30 -63.67 -45.32 90.66 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 109.716 176.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD13 ' HD1' ' B' ' 24' ' ' HIS . 3.1 tm? -57.29 -42.29 81.43 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.257 1.023 . . . . 0.0 110.737 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -66.13 -34.55 78.32 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.096 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.0 mmtt -67.83 -38.54 83.35 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.48 -48.09 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.575 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 76.7 mm-40 -56.49 -50.43 71.79 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.806 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.49 -44.46 95.94 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.335 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -66.05 -43.36 87.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.06 0.457 . . . . 0.0 110.268 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.6 ttpt -56.48 -49.08 75.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -63.99 -38.07 89.75 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.589 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.79 -46.35 84.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.437 0.637 . . . . 0.0 109.509 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.31 -44.91 82.08 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.258 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.7 mt -58.02 -41.02 79.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 O-C-N 123.335 0.397 . . . . 0.0 110.223 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.06 -39.73 93.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.846 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.83 -52.16 58.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.716 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' A' ' 34' ' ' PHE . 10.0 m -61.4 -34.66 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.567 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -63.52 -51.82 63.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.232 0.613 . . . . 0.0 111.253 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.41 -18.62 64.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.981 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.522 ' HD1' HD13 ' B' ' 6' ' ' LEU . 23.4 t60 -63.41 -39.06 93.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.552 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.44 -16.36 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 118.889 -1.624 . . . . 0.0 114.335 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.9 mp -55.21 144.45 24.43 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.51 ' O ' HG21 ' A' ' 31' ' ' VAL . 5.8 m-20 -75.35 168.86 19.19 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.76 -1.564 . . . . 0.0 107.524 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 m80 -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.227 0.537 . . . . 0.0 109.729 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 m-20 -62.94 -34.71 78.05 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.62 -44.52 93.69 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.612 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 27' ' ' ASP . 55.6 t -61.35 -43.57 96.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 123.715 0.635 . . . . 0.0 109.735 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 77.3 mt -61.7 -53.5 55.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.87 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.1 mt -62.95 -41.96 99.67 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.606 0.241 . . . . 0.0 111.066 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' A' ' 21' ' ' VAL . 75.5 t80 -61.62 -51.25 69.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.261 0.624 . . . . 0.0 111.354 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.5 p -61.14 -35.07 76.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.335 0.397 . . . . 0.0 111.516 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.0 mtp180 -68.29 -51.91 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.389 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.03 -39.01 92.74 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.63 -176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.42 -43.49 85.53 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.288 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.71 -47.67 83.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 7.9 mptt -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.995 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.62 -42.58 99.67 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 109.844 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 62.8 mt -65.37 -50.8 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.159 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.368 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -57.13 -32.33 66.25 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -60.94 -50.13 74.64 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 123.971 0.908 . . . . 0.0 110.527 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.58 -32.54 41.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 121.116 0.484 . . . . 0.0 112.082 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.527 ' HE3' ' CG ' ' B' ' 24' ' ' HIS . 97.6 mmm -75.34 -8.13 55.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.807 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 61.54 30.57 18.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 124.56 1.144 . . . . 0.0 111.435 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.1 t -88.54 109.24 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.259 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -113.82 103.55 11.31 Favored 'General case' 0 C--N 1.262 -3.209 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.51 95.11 0.8 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.839 0.828 . . . . 0.0 111.629 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -104.29 -1.66 26.7 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.184 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -100.74 168.79 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.111 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -80.43 103.41 10.27 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.76 93.53 7.43 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.14 112.63 4.0 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 113.776 -1.557 . . . . 0.0 109.632 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -148.84 82.62 1.45 Allowed 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -88.72 -55.1 3.84 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -147.05 110.36 4.83 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -124.46 105.2 9.22 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -85.81 128.58 34.85 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -78.98 92.71 4.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 122.586 1.184 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 . . . . . 0 N--CA 1.424 -1.754 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.323 176.371 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.455 0.169 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.51 ' HG3' ' H ' ' B' ' 5' ' ' GLN . 10.0 tp10 -95.75 139.77 31.5 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-O 121.148 0.499 . . . . 0.0 111.304 -174.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ptp -104.87 -27.82 11.49 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.205 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 -52.03 33.5 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.51 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 57.2 mt-30 -64.63 -21.82 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.889 0.376 . . . . 0.0 110.965 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.522 HD13 ' HD1' ' A' ' 24' ' ' HIS . 3.4 tm? -72.95 -47.47 45.28 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -67.0 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.83 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -69.78 -31.86 70.02 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -70.48 -33.79 71.65 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.108 172.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 65.9 mt -58.7 -48.51 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -54.27 -52.78 60.32 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.881 0.738 . . . . 0.0 110.045 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.1 -41.98 93.72 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.396 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.72 -42.22 74.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.549 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.5 ttpt -53.96 -49.42 68.79 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.714 1.206 . . . . 0.0 108.715 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.97 -40.89 97.45 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.707 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.71 -41.53 73.94 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 121.398 0.618 . . . . 0.0 110.395 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.402 HD21 ' O ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -70.93 -42.07 70.33 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.433 -178.29 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.7 mt -58.5 -42.98 85.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.62 -24.52 67.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.05 -53.75 7.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.148 -0.345 . . . . 0.0 111.382 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.72 -34.26 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.439 0.638 . . . . 0.0 111.037 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.97 87.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.31 -10.69 59.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.117 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.527 ' CG ' ' HE3' ' A' ' 46' ' ' MET . 8.9 t60 -68.84 -48.38 63.62 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.77 34.08 0.02 OUTLIER Glycine 0 N--CA 1.434 -1.491 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.385 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.545 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 57.5 mt -90.64 144.41 25.77 Favored 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.755 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.43 ' O ' HG21 ' B' ' 31' ' ' VAL . 3.0 m-20 -70.27 158.74 35.34 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.584 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 47.2 m80 -59.3 -35.63 74.13 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 118.357 0.526 . . . . 0.0 111.192 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.35 -34.42 77.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.451 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 31.6 mmtp -65.82 -46.6 78.02 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.898 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 27' ' ' ASP . 23.2 t -56.92 -43.39 80.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 123.827 0.704 . . . . 0.0 110.182 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 59.1 mt -64.81 -51.93 59.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -38.09 89.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.44 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.36 -51.98 38.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.229 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 45.4 p -57.78 -36.84 72.72 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 7.7 ptm180 -78.4 -35.78 46.65 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.856 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 t70 -78.53 -28.02 46.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.609 0.719 . . . . 0.0 109.525 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 tp -67.05 -43.31 83.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.85 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.13 -43.52 98.76 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 46.8 mtpt -55.76 -48.7 74.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.254 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.0 tt -62.21 -45.55 92.84 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.812 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' B' ' 46' ' ' MET . 52.4 mt -65.88 -48.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.814 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -57.37 -34.4 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.406 0.146 . . . . 0.0 111.168 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 34.9 ttmt -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.256 1.022 . . . . 0.0 110.475 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -77.51 -29.92 52.71 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.3 mmm -69.49 -29.58 67.25 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.22 4.52 4.9 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.616 1.566 . . . . 0.0 111.16 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.88 126.33 36.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.55 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -113.8 85.09 2.14 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -107.13 154.5 21.08 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.915 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -126.13 18.64 7.72 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.27 17.91 3.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.723 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -85.15 161.89 19.46 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.025 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -110.65 131.06 55.37 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.873 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -111.16 135.94 50.95 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -160.7 167.01 27.79 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -81.43 147.75 29.61 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.004 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.2 t60 178.54 -48.78 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -90.47 121.66 32.62 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -82.85 131.33 35.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.101 0.477 . . . . 0.0 111.865 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -73.85 -49.98 22.52 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.489 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 m80 . . . . . 0 C--O 1.26 1.624 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 CA--C 1.51 -0.558 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 70.2 112.55 0.05 Allowed 'General case' 0 C--O 1.248 0.988 0 C-N-CA 124.733 1.213 . . . . 0.0 111.431 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -69.83 -27.15 64.62 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.855 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.19 -40.86 99.6 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 90.3 mt-30 -84.17 -15.56 46.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.116 0.484 . . . . 0.0 110.499 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.68 -45.84 56.82 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -29.04 68.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.639 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 25.9 t-20 -59.56 -48.54 81.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.722 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.64 -40.63 97.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.06 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.36 -50.15 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.085 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' A' ' 14' ' ' LYS . 75.9 mm-40 -58.05 -52.17 66.65 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.079 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -57.8 -45.46 86.04 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 124.079 0.862 . . . . 0.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -68.54 -46.27 69.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.987 0.423 . . . . 0.0 110.874 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.6 ttpt -58.66 -42.13 87.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.699 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.52 -39.97 92.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.651 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.48 -40.08 74.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.651 0.739 . . . . 0.0 109.172 173.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.77 -47.29 69.61 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.546 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.0 mt -56.92 -40.89 75.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.32 -39.0 91.61 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.687 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.39 -46.8 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.551 ' O ' HD12 ' A' ' 26' ' ' LEU . 89.4 t -57.3 -43.18 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.891 0.377 . . . . 0.0 110.337 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.99 67.2 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.563 0.745 . . . . 0.0 112.014 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -66.59 -18.56 65.43 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' HD1' HD13 ' B' ' 6' ' ' LEU . 19.7 t60 -60.83 -31.55 70.97 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.544 0.212 . . . . 0.0 110.951 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.85 11.42 0.12 Allowed Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 119.356 -1.402 . . . . 0.0 113.745 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.3 mp -75.59 149.39 38.29 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' HG21 ' A' ' 31' ' ' VAL . 5.0 m-20 -87.05 171.04 11.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.526 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 p-80 -56.17 -48.78 75.66 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -63.34 -37.62 87.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.498 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -60.24 -46.04 91.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.531 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 27' ' ' ASP . 57.7 t -61.77 -43.23 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.3 mt -63.0 -50.27 71.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.42 -42.42 98.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.99 -54.74 37.47 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 123.467 0.479 . . . . 0.0 110.83 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -58.97 -41.2 86.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -74.35 -35.07 63.57 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.106 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.03 -32.23 61.52 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.05 -46.53 80.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.214 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.54 -42.7 97.07 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -61.91 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.073 1.349 . . . . 0.0 112.111 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 5.1 tt -60.43 -40.38 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.432 HD13 ' HD3' ' A' ' 14' ' ' LYS . 87.0 mt -73.98 -43.57 52.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.44 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -57.72 -29.22 64.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.975 0.51 . . . . 0.0 110.617 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.59 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 35.6 ttmt -62.45 -49.2 76.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.193 0.997 . . . . 0.0 110.029 176.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD23 ' B' ' 26' ' ' LEU . 73.0 m-85 -83.32 -29.96 27.89 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 68.49 66.3 0.32 Allowed 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.337 1.455 . . . . 0.0 108.016 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -109.46 110.34 31.74 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.353 0 CA-C-N 113.902 -1.499 . . . . 0.0 107.622 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -91.09 111.21 22.58 Favored 'General case' 0 C--N 1.266 -3.025 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.591 ' OD1' HG23 ' A' ' 52' ' ' VAL . 31.5 t70 -44.68 133.64 5.87 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -175.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -124.64 17.6 8.78 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.757 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.591 HG23 ' OD1' ' A' ' 50' ' ' ASP . 15.0 m -97.46 -33.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.327 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.6 7.82 4.51 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.61 0.719 . . . . 0.0 110.649 174.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp 61.46 33.48 18.58 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.458 172.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.34 125.75 49.15 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.538 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.38 -60.31 2.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.129 0.49 . . . . 0.0 109.749 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -109.56 146.9 33.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -107.0 109.77 21.75 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -75.34 122.99 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 62.23 -175.17 0.14 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.246 0.618 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -149.32 123.98 9.81 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 C--N 1.299 -1.598 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -174.778 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.85 -9.85 58.94 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.413 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 3.8 mpp? -65.99 -29.25 69.6 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.66 -36.45 48.37 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 14.9 mm-40 -69.1 -43.26 74.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.454 HD13 ' HD1' ' A' ' 24' ' ' HIS . 3.0 tm? -59.1 -43.82 91.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.275 175.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -67.08 -27.85 67.7 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.255 179.284 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -74.27 -34.11 63.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 30.5 mmmt -65.26 -38.56 90.68 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.32 -49.84 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.781 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 17.0 mm-40 -52.1 -53.88 37.16 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 123.28 0.632 . . . . 0.0 109.989 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.69 -47.62 79.47 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.389 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.8 -39.01 84.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 110.12 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.42 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -57.36 -47.82 80.62 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.277 1.031 . . . . 0.0 108.372 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -65.86 -41.71 91.3 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.634 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.42 -42.73 74.56 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.301 0.572 . . . . 0.0 109.509 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.432 ' O ' HG22 ' B' ' 21' ' ' VAL . 19.7 tp -68.24 -46.28 70.95 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.748 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.8 mt -53.89 -43.64 57.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 123.623 0.577 . . . . 0.0 110.288 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 24.0 mt-30 -56.45 -42.51 78.28 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.769 0.668 . . . . 0.0 110.764 176.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.16 -49.76 53.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.648 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.5 t -62.41 -36.23 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-O 121.375 0.607 . . . . 0.0 110.296 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.88 -48.06 80.64 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.503 0.721 . . . . 0.0 111.763 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.31 -13.13 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 37.6 t-80 -60.28 -31.92 70.7 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.384 0.427 . . . . 0.0 110.312 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.58 -6.29 0.39 Allowed Glycine 0 CA--C 1.492 -1.403 0 C-N-CA 118.859 -1.639 . . . . 0.0 113.489 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.462 HD12 ' O ' ' B' ' 21' ' ' VAL . 10.9 mp -56.52 140.12 47.29 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.9 0.857 . . . . 0.0 112.917 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.523 ' O ' HG22 ' B' ' 31' ' ' VAL . 4.9 m-20 -72.33 167.13 21.09 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.005 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.418 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 44.7 m80 -62.94 -35.96 81.85 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 120.957 0.408 . . . . 0.0 109.948 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.62 -41.48 98.29 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.279 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -61.9 -38.33 87.96 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.17 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 27' ' ' ASP . 43.1 t -64.71 -42.37 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 91.9 mt -60.27 -52.79 63.76 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.816 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.72 -44.93 86.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.884 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.61 -49.81 75.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.8 p -60.81 -38.88 86.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.35 -38.58 55.65 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.79 -43.62 88.21 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.08 -42.56 76.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.882 -1.508 . . . . 0.0 111.649 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.67 -42.39 96.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.611 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.39 -35.56 77.87 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.499 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.18 -40.4 97.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.203 0.525 . . . . 0.0 109.726 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' B' ' 46' ' ' MET . 60.4 mt -69.7 -45.74 76.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.243 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -56.71 -34.82 67.83 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.896 0.478 . . . . 0.0 111.011 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -60.04 -55.11 38.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.885 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD23 ' A' ' 26' ' ' LEU . 62.6 m-85 -76.6 -24.78 53.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 13.4 mmt -71.93 -23.46 61.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 55.3 t30 67.6 64.8 0.4 Allowed 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 108.795 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.16 113.17 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.074 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.255 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -93.48 108.84 20.46 Favored 'General case' 0 N--CA 1.397 -3.089 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.35 103.3 0.18 Allowed 'General case' 0 C--N 1.31 -1.123 0 O-C-N 124.395 1.059 . . . . 0.0 108.805 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -94.77 17.37 13.7 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.921 0.867 . . . . 0.0 111.676 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 30.1 m -82.02 138.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 168.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.402 ' HB2' ' NE2' ' B' ' 57' ' ' HIS . 29.2 m170 -76.01 -27.81 57.53 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.902 -173.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt 178.77 153.87 0.39 Allowed 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -94.25 145.79 24.47 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 171.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 68.21 44.83 1.33 Allowed 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 -167.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' B' ' 53' ' ' HIS . 53.7 t-80 -74.17 122.86 23.44 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 112.596 -2.093 . . . . 0.0 112.298 -172.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -140.86 -62.37 0.48 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.7 m80 58.55 33.36 23.04 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.166 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -86.69 102.26 14.05 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.172 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.08 127.95 35.73 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.182 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -178.228 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.03 128.05 34.49 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-O 121.521 0.677 . . . . 0.0 111.776 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -21.65 66.63 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.359 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.38 -43.52 96.69 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 76.7 mt-30 -78.88 -21.66 47.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.043 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' B' ' 24' ' ' HIS . 2.3 tm? -64.57 -44.06 91.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 172.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 2.7 mmmt -58.97 -44.74 91.57 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.978 176.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.75 -34.78 76.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.894 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.3 mttm -66.66 -41.98 87.32 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.07 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.57 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 23.6 mm-40 -55.57 -52.39 63.91 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 123.836 0.71 . . . . 0.0 110.341 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.72 -49.19 73.71 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.777 0.673 . . . . 0.0 111.708 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -67.39 -42.15 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.283 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -55.62 -49.54 72.54 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.773 1.229 . . . . 0.0 108.839 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.3 mtpp -63.73 -40.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.833 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -55.19 -42.86 73.8 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.461 0.648 . . . . 0.0 109.73 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.0 69.54 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.78 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.3 mt -58.64 -41.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.22 -33.21 74.13 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.472 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.8 mt -69.96 -52.22 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.647 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.8 m -62.22 -30.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.623 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -49.96 67.74 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.353 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -66.01 -18.33 65.27 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.063 0.458 . . . . 0.0 111.94 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.647 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -55.86 -38.99 70.85 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.137 171.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.98 35.69 0.17 Allowed Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 120.178 -1.011 . . . . 0.0 112.937 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 39.0 mt -89.95 151.71 21.57 Favored 'General case' 0 CA--C 1.484 -1.559 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.176 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 31' ' ' VAL . 6.8 m-20 -76.75 167.22 22.22 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.648 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -59.61 -40.59 88.02 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.97 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 72.1 mmtt -62.55 -49.4 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 27' ' ' ASP . 70.5 t -58.76 -45.01 91.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 123.67 0.606 . . . . 0.0 110.071 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 80.0 mt -65.71 -52.84 48.09 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.66 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -40.74 91.43 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.427 -0.109 . . . . 0.0 111.054 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -61.92 -52.77 62.72 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.595 0.559 . . . . 0.0 111.005 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.0 p -61.68 -35.14 77.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.7 mtp180 -66.9 -46.74 73.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.32 0.387 . . . . 0.0 110.571 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.05 -31.6 62.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.113 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 42' ' ' ILE . 21.8 tp -63.62 -47.06 82.92 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.59 0.756 . . . . 0.0 110.122 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -55.4 -50.49 69.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.922 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -62.32 -39.28 92.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.211 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 40.8 tp -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.037 0.535 . . . . 0.0 111.53 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.7 mt -68.28 -51.67 45.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -54.3 -33.06 57.92 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.982 0.913 . . . . 0.0 111.144 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 40.3 ttmt -57.44 -47.24 82.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.171 0.988 . . . . 0.0 109.954 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -82.22 -33.63 29.24 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.165 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.7 mtp -68.54 -32.15 71.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.283 0.563 . . . . 0.0 109.753 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 82.17 -10.21 1.13 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.575 1.95 . . . . 0.0 111.165 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.66 128.31 39.32 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.263 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -123.22 32.28 5.72 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -58.48 112.5 1.61 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.54 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HZ3' ' HB2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -100.75 8.12 43.45 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.412 178.486 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 m -94.73 76.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.26 1.029 . . . . 0.0 111.216 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -89.27 -37.46 14.93 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -118.46 111.05 18.16 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.702 -2.044 . . . . 0.0 107.916 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 138.79 31.24 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.91 -47.51 52.1 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 59' ' ' HIS . 52.9 m80 -151.77 168.61 24.53 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.683 -2.339 . . . . 0.0 104.683 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -79.37 -31.7 42.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 172.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 57' ' ' HIS . 66.9 m-70 65.52 -159.4 0.27 Allowed 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.236 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' A' ' 59' ' ' HIS . 68.0 m80 81.53 -36.52 0.11 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.615 1.166 . . . . 0.0 111.009 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -67.06 -39.75 86.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 N--CA 1.434 -1.235 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 174.731 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 C--O 1.225 -0.218 0 N-CA-C 110.731 -0.1 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.469 ' HG3' ' H ' ' B' ' 5' ' ' GLN . 10.2 tp10 -107.95 112.11 24.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.119 0.485 . . . . 0.0 110.435 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 67.7 mtm -75.18 -20.9 59.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.1 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.63 -36.81 93.83 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 13.4 mm100 -81.55 -21.11 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 120.847 0.356 . . . . 0.0 110.627 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.18 -45.46 66.63 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.3 OUTLIER -63.96 -32.94 74.65 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.742 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 25.5 t-20 -59.29 -45.97 89.83 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 124.076 0.95 . . . . 0.0 109.638 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 74.7 mmtt -68.56 -34.16 75.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.407 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.94 -47.7 91.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 19.7 mm-40 -55.82 -49.26 73.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.83 -52.44 62.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.468 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -69.8 -40.57 75.88 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.463 -174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.571 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -54.26 -50.42 67.27 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 124.363 1.065 . . . . 0.0 108.365 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.9 mtpm? -64.12 -40.23 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.16 -41.48 79.29 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.408 0.623 . . . . 0.0 109.862 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.25 -43.6 66.93 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.459 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.7 mt -55.47 -42.83 69.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 96.4 mt-30 -62.59 -35.15 78.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.944 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 83.1 mt -72.34 -47.45 49.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.119 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 25.3 t -60.26 -37.38 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.325 0.583 . . . . 0.0 110.233 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.31 -48.89 77.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.403 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 14.5 ptm180 -73.38 -7.43 51.65 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.043 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.8 t60 -64.11 -40.49 96.32 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.21 0.03 OUTLIER Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.7 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.503 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 22.7 mt -95.99 143.77 26.87 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-O 121.239 0.542 . . . . 0.0 112.042 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.03 162.94 28.73 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 172.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.593 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 90.1 m-70 -60.06 -34.14 73.02 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.971 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.463 ' O ' HD11 ' B' ' 33' ' ' LEU . 4.7 p-10 -64.96 -38.03 89.61 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.503 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.9 mmtm -62.54 -45.19 94.1 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.39 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.5 -41.45 87.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 O-C-N 123.529 0.518 . . . . 0.0 110.09 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 73.0 mt -65.13 -49.53 69.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.199 0.523 . . . . 0.0 110.48 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.463 HD11 ' O ' ' B' ' 29' ' ' ASP . 9.0 mp -65.07 -37.43 87.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.51 -48.59 63.99 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -59.31 -42.68 91.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.52 -26.13 59.79 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 6.2 t70 -80.72 -40.66 24.9 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -62.1 -45.05 95.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.327 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.82 -41.38 86.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.2 0.524 . . . . 0.0 110.089 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 4.7 ttmp? -62.06 -46.43 89.16 Favored 'General case' 0 N--CA 1.407 -2.596 0 C-N-CA 124.624 1.169 . . . . 0.0 111.106 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.35 -38.32 90.61 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.157 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.6 mt -68.17 -54.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.44 -33.04 58.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.903 0.481 . . . . 0.0 111.614 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -59.13 -55.45 34.86 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 109.474 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.406 ' O ' HD23 ' A' ' 26' ' ' LEU . 41.0 m-85 -75.31 -27.88 59.47 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 27.4 mtp -72.94 -24.4 60.8 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.69 24.56 3.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.186 1.794 . . . . 0.0 109.062 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 t 57.51 103.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 C-N-CA 125.425 1.49 . . . . 0.0 111.421 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.616 ' HG3' ' NE2' ' A' ' 24' ' ' HIS . 13.0 mmmm -113.91 28.88 8.42 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -102.73 114.13 28.12 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -87.78 6.81 33.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.024 0.916 . . . . 0.0 111.679 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -84.2 123.16 38.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 114.671 -1.15 . . . . 0.0 107.936 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -93.3 34.85 1.11 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.809 0.338 . . . . 0.0 111.324 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 63.09 84.02 0.15 Allowed 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.921 1.288 . . . . 0.0 111.393 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.414 HD22 ' H ' ' B' ' 55' ' ' LEU . 1.9 pt? -72.27 108.39 5.39 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.796 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.12 91.84 7.77 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.112 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.29 -57.29 0.37 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 33.6 m80 67.19 174.76 0.26 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.272 -1.331 . . . . 0.0 112.755 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -129.2 -34.45 1.87 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 69.67 75.86 0.22 Allowed 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -74.97 129.46 37.68 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.857 -1.519 . . . . 0.0 109.065 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 34.1 m80 . . . . . 0 C--O 1.249 1.028 0 O-C-N 124.772 1.295 . . . . 0.0 110.609 -178.704 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 CA--C 1.507 -0.689 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 41.9 mt-10 -127.82 152.84 47.3 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt -84.56 -25.76 28.47 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.43 -35.28 91.48 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.323 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 18.1 pt20 -71.76 -31.99 67.21 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 HD13 ' HD1' ' B' ' 24' ' ' HIS . 3.1 tm? -72.32 -44.38 62.78 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -66.13 -31.18 71.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -66.15 -43.2 87.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -59.99 -43.22 95.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.977 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.8 mt -55.27 -46.9 78.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 O-C-N 123.749 0.655 . . . . 0.0 110.139 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 25.5 mm-40 -56.74 -53.34 58.89 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.241 0.338 . . . . 0.0 111.253 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 37.4 m-80 -58.55 -49.52 77.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 O-C-N 123.997 0.811 . . . . 0.0 111.533 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD3' ' HD2' ' B' ' 13' ' ' LYS . 11.1 tppt? -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.986 -176.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.7 ttpt -55.65 -52.3 64.29 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 125.112 1.365 . . . . 0.0 108.841 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD13 ' A' ' 18' ' ' ILE . 81.2 mttt -63.47 -38.98 93.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.706 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 48.3 mt-10 -57.27 -44.21 83.77 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.461 0.648 . . . . 0.0 109.702 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -41.53 74.29 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.289 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.6 mt -57.8 -42.02 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.48 -33.25 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.701 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 10' ' ' ILE . 86.3 mt -71.35 -48.86 47.65 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.505 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' HD12 ' A' ' 26' ' ' LEU . 16.6 m -63.52 -32.36 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.362 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.77 66.49 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.772 0.429 . . . . 0.0 111.504 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.4 -19.0 65.23 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.114 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 45.5 t-80 -59.65 -34.48 72.87 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.735 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.12 -5.12 0.46 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.302 -1.428 . . . . 0.0 114.041 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.2 mp -57.04 145.11 31.69 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' HG21 ' A' ' 31' ' ' VAL . 14.0 m-20 -79.99 170.34 16.6 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.507 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 29.3 t-80 -60.79 -40.72 93.68 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.87 -43.24 85.86 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -62.57 -43.13 99.59 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.911 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 27' ' ' ASP . 58.9 t -62.7 -40.49 88.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 123.605 0.566 . . . . 0.0 109.871 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.2 mt -64.72 -53.3 49.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.64 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.13 -43.53 91.99 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.988 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.85 -52.13 65.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 p -63.89 -34.93 79.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 20.7 mtp180 -60.8 -55.11 36.95 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.97 -40.53 91.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.515 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -47.0 87.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.74 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.75 -46.21 90.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.193 0.52 . . . . 0.0 109.746 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.9 -36.8 80.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.731 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.198 0.523 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' MET . 73.0 mt -67.33 -45.16 86.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.331 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.74 -35.59 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.199 0.523 . . . . 0.0 110.646 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.25 -46.47 86.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.132 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.85 -26.08 49.13 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 14.9 mmt -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 172.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.5 t30 64.96 32.07 10.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.067 2.147 . . . . 0.0 110.064 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 t 60.67 103.58 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.006 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -100.39 104.85 16.29 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.111 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -158.95 -166.75 1.93 Allowed 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 -172.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -103.56 15.42 28.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.68 144.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.471 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.878 -174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -71.01 116.8 11.72 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.8 150.87 23.7 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.11 129.85 43.53 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.978 0.799 . . . . 0.0 111.408 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.512 ' OE2' ' HA ' ' A' ' 60' ' ' HIS . 9.1 pt-20 -86.45 129.42 34.86 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.696 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -107.49 -31.09 8.28 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -124.83 161.8 25.71 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 65.88 29.12 10.55 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.85 0.86 . . . . 0.0 111.172 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.512 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 15.9 m80 -51.46 134.8 28.51 Favored 'General case' 0 C--O 1.25 1.125 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -90.23 160.56 16.13 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.341 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 C--N 1.299 -1.598 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.174 -177.006 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.836 0.827 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -84.35 149.38 26.07 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.38 -171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -60.69 -25.36 66.34 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.18 -27.94 73.53 Favored Glycine 0 C--N 1.322 -0.241 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -87.01 -35.01 19.03 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.24 -45.52 94.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.636 -1.166 . . . . 0.0 109.014 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.408 ' HG2' ' HE2' ' B' ' 46' ' ' MET . 0.0 OUTLIER -67.0 -30.57 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.343 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -67.79 -42.37 81.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -70.09 -31.19 68.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 20' ' ' LEU . 54.2 mt -60.55 -47.05 94.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.51 -52.83 60.74 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.876 0.735 . . . . 0.0 109.733 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.5 -49.72 69.51 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.672 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 1.5 tppp? -66.97 -39.34 87.2 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.517 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.9 ttpt -59.88 -45.68 91.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.751 0.821 . . . . 0.0 109.351 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 85.2 mttt -64.95 -38.87 92.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.958 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -55.86 -41.74 74.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.611 0.719 . . . . 0.0 109.383 172.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.4 ' C ' HD12 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -68.43 -44.39 75.06 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.437 -179.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 14' ' ' LYS . 79.8 mt -57.76 -40.16 74.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 53.0 mt-30 -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.047 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.6 mp -59.96 -54.14 49.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.3 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.4 HG12 ' HE1' ' A' ' 46' ' ' MET . 46.3 t -58.2 -38.48 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-O 121.322 0.582 . . . . 0.0 111.088 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.62 67.86 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.736 0.814 . . . . 0.0 112.312 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 16.2 ptm180 -73.25 -11.25 60.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.702 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.406 ' HD1' HD13 ' A' ' 6' ' ' LEU . 15.5 t60 -64.19 -57.61 9.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.46 0.05 OUTLIER Glycine 0 N--CA 1.426 -1.991 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.783 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.436 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 45.3 mt -102.33 155.91 17.93 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.284 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.503 ' O ' HG21 ' B' ' 31' ' ' VAL . 18.4 m-20 -97.68 171.19 8.5 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.564 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 28.0 t60 -57.47 -38.01 73.81 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.46 0.475 . . . . 0.0 111.663 -173.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.1 -40.7 96.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 111.01 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.436 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.0 mmtt -64.8 -43.38 93.37 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.503 HG21 ' O ' ' B' ' 27' ' ' ASP . 38.2 t -58.61 -43.8 88.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.539 0.524 . . . . 0.0 110.202 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 60.8 mt -65.15 -48.49 73.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.264 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.37 -41.03 90.03 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.053 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.31 -54.44 36.98 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 123.758 0.661 . . . . 0.0 110.897 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 38.4 p -57.74 -39.99 78.64 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -78.78 -30.42 45.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.771 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.8 t70 -74.43 -37.55 63.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.86 -47.82 84.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.344 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.28 -42.24 81.26 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.88 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 14.0 pttm -65.95 -39.74 90.72 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.741 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.94 -37.61 88.22 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.376 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.0 mt -70.55 -54.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.782 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -53.94 -37.52 63.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.151 0.58 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -58.87 -48.39 81.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.716 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.401 ' HB3' HD23 ' A' ' 26' ' ' LEU . 41.4 m-85 -78.84 -29.51 44.68 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.9 mtp -68.53 -19.44 64.5 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 70.43 70.23 0.21 Allowed 'General case' 0 C--O 1.247 0.959 0 C-N-CA 125.499 1.52 . . . . 0.0 109.4 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.6 118.16 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.829 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.646 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -94.17 89.27 5.91 Favored 'General case' 0 C--N 1.262 -3.225 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.164 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.522 ' OD1' ' HG2' ' B' ' 51' ' ' LYS . 5.8 t70 -148.27 -165.98 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.522 ' HG2' ' OD1' ' B' ' 50' ' ' ASP . 17.6 pttm -108.82 12.52 25.51 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-O 122.801 1.286 . . . . 0.0 108.379 -173.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.63 -19.65 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.034 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.199 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -96.85 84.7 3.63 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 121.938 0.875 . . . . 0.0 108.863 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.92 96.73 9.9 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 tp -76.68 90.15 3.39 Favored 'General case' 0 N--CA 1.4 -2.94 0 CA-C-O 122.707 1.241 . . . . 0.0 113.058 -171.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -159.93 81.88 0.72 Allowed 'General case' 0 C--N 1.269 -2.917 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.933 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -125.78 -62.81 1.16 Allowed 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.509 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -140.0 78.54 1.66 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.782 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -86.37 132.83 33.87 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -91.36 106.39 18.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.326 0.584 . . . . 0.0 109.439 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -128.04 -174.45 3.21 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 38.9 m80 . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.157 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 tpp . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 110.74 22.15 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.9 mtt -88.38 -15.48 35.44 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.16 97.9 Favored Glycine 0 N--CA 1.438 -1.172 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -64.88 -37.2 86.83 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.569 0.747 . . . . 0.0 110.885 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -71.1 -46.08 62.45 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 8.1 mmmt -62.1 -35.35 78.42 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.478 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -60.66 -47.0 88.21 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 123.67 0.606 . . . . 0.0 110.573 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.07 -40.44 95.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.85 -52.72 58.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.863 0.727 . . . . 0.0 110.458 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 17.1 mm-40 -54.39 -49.45 69.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 124.929 1.291 . . . . 0.0 111.461 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.67 -40.62 72.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.843 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 18' ' ' ILE . 29.4 ttpt -58.31 -44.46 88.59 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.244 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' HD11 ' A' ' 18' ' ' ILE . 58.1 mtpt -64.21 -41.28 97.11 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.649 0.78 . . . . 0.0 111.808 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.2 -42.3 81.03 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.773 0.67 . . . . 0.0 109.741 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 21' ' ' VAL . 19.9 tp -65.15 -46.49 80.68 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.233 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -53.67 -42.79 52.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 123.807 0.692 . . . . 0.0 110.224 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -61.34 -34.97 76.15 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.673 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.61 -47.68 30.89 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.364 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' O ' HD12 ' A' ' 26' ' ' LEU . 23.1 t -62.25 -34.54 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.24 0.543 . . . . 0.0 109.865 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.71 -51.98 65.07 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.165 0.586 . . . . 0.0 111.755 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -64.82 -17.87 64.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 33.7 t-80 -57.17 -34.6 68.63 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.457 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.57 -15.0 0.25 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.85 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.5 mp -57.1 146.98 25.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 31' ' ' VAL . 11.3 t70 -95.2 176.72 6.11 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.574 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 t-80 -58.91 -37.85 77.57 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 123.189 0.596 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.32 -38.29 90.5 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.321 0.582 . . . . 0.0 110.115 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -72.4 -37.74 68.62 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.652 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 27' ' ' ASP . 83.5 t -66.6 -39.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 94.6 mt -63.25 -53.86 46.37 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.226 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.04 -42.03 97.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.414 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -65.02 -49.53 69.83 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.2 p -61.66 -33.74 74.49 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.6 mtp180 -71.05 -52.93 16.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.669 0.271 . . . . 0.0 110.725 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.99 -42.82 99.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.056 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 42' ' ' ILE . 29.5 tp -61.57 -43.69 98.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.702 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.96 -46.95 87.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.473 0.654 . . . . 0.0 109.355 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.365 -1.288 . . . . 0.0 111.56 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.16 -43.94 92.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.818 0.447 . . . . 0.0 111.642 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.2 mt -65.37 -57.02 12.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.017 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.54 -28.76 63.81 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.781 0.832 . . . . 0.0 111.857 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.79 -44.42 93.39 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.686 0.794 . . . . 0.0 109.924 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -77.96 -35.19 50.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.812 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 61.5 mtp -70.29 -32.37 70.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.872 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.3 t30 75.25 58.88 0.06 Allowed 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.084 1.754 . . . . 0.0 109.58 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 46' ' ' MET . 48.4 t -90.54 100.38 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.262 0 CA-C-O 122.652 1.215 . . . . 0.0 110.228 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -122.41 139.41 53.88 Favored 'General case' 0 C--N 1.248 -3.828 0 N-CA-C 103.901 -2.629 . . . . 0.0 103.901 169.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' OD2' HG23 ' A' ' 52' ' ' VAL . 24.1 t70 -42.88 128.36 4.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 124.771 1.294 . . . . 0.0 111.799 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 53' ' ' HIS . 64.0 pttt -115.4 35.78 4.24 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.291 -171.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG23 ' OD2' ' A' ' 50' ' ' ASP . 24.6 m -71.22 10.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' A' ' 51' ' ' LYS . 13.6 m-70 -73.02 -25.71 61.05 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 171.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 70.74 169.1 0.31 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.359 1.864 . . . . 0.0 111.831 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.2 mt -128.4 160.98 30.55 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.06 73.51 9.04 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-O 122.262 1.03 . . . . 0.0 111.189 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -66.76 -26.53 67.02 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.171 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -64.48 -23.69 67.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.616 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.274 28.9 m170 -84.77 72.65 10.71 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -109.27 -48.18 3.3 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -101.1 122.93 44.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 168.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 . . . . . 0 C--N 1.291 -1.949 0 CA-C-O 119.194 -0.431 . . . . 0.0 109.899 -176.857 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.25 175.98 10.93 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.252 -176.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -132.21 -1.29 3.63 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.92 -38.09 12.03 Favored Glycine 0 C--O 1.242 0.622 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.345 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 72.6 mt-30 -83.63 -28.32 28.53 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.74 -47.63 85.42 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 172.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -61.41 -35.59 77.95 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.6 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -65.38 -37.84 88.21 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 122.887 0.475 . . . . 0.0 109.777 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 45.2 mmtm -64.52 -47.18 79.84 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.72 -50.98 64.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 O-C-N 124.227 0.954 . . . . 0.0 109.592 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.3 mm-40 -53.87 -62.29 1.75 Allowed 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 123.667 0.604 . . . . 0.0 111.602 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 8.8 t30 -54.45 -43.73 71.89 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 124.106 0.879 . . . . 0.0 111.811 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -65.95 -47.31 75.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.234 0.54 . . . . 0.0 111.14 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.541 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.5 ttpt -58.5 -44.18 89.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.608 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 92.1 mttt -65.48 -41.05 93.75 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.055 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.0 mt-10 -55.61 -39.74 71.18 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 173.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.477 ' O ' HG22 ' B' ' 21' ' ' VAL . 14.5 tp -68.59 -47.28 67.13 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.616 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 14' ' ' LYS . 82.3 mt -54.63 -42.93 63.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 123.563 0.54 . . . . 0.0 109.735 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.3 mt-30 -57.31 -39.17 75.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.987 176.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 93.5 mt -72.62 -46.83 52.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 17' ' ' LEU . 17.4 t -62.05 -36.56 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 121.575 0.702 . . . . 0.0 109.631 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.18 85.33 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.638 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 10.9 ptm180 -74.57 -6.1 46.64 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -69.91 -37.24 75.9 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.32 44.21 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.939 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.945 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 25.7 mt -99.8 142.87 30.71 Favored 'General case' 0 CA--C 1.479 -1.76 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.256 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.505 ' O ' HG22 ' B' ' 31' ' ' VAL . 2.1 m-20 -69.79 159.58 33.31 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.65 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 34.9 m-70 -64.07 -30.46 71.53 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.349 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.2 -38.84 92.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.633 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.51 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 33.4 mmtp -63.31 -48.25 78.84 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 27' ' ' ASP . 28.5 t -57.76 -43.47 84.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 123.489 0.716 . . . . 0.0 110.07 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 65.4 mt -61.75 -53.74 51.95 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 122.446 0.299 . . . . 0.0 111.285 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.07 -42.22 98.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.523 0.514 . . . . 0.0 110.888 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.4 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 66.1 t80 -63.63 -54.23 39.06 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.117 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 43.1 p -59.47 -41.76 90.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 18.0 ptm180 -69.61 -37.12 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.841 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.6 -31.02 36.82 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 119.466 -0.894 . . . . 0.0 110.073 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.1 -47.34 83.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.864 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.78 -41.21 90.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.447 0.641 . . . . 0.0 109.447 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -63.05 -46.87 85.48 Favored 'General case' 0 N--CA 1.414 -2.245 0 C-N-CA 124.529 1.132 . . . . 0.0 110.328 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.79 -39.73 81.97 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.414 0.686 . . . . 0.0 110.437 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.685 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.0 mt -67.11 -54.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.527 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -51.42 -36.65 44.7 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.133 0.573 . . . . 0.0 111.859 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.61 -53.02 62.43 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.073 0.949 . . . . 0.0 109.636 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD23 ' A' ' 26' ' ' LEU . 43.8 m-85 -75.58 -26.78 58.21 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.685 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.1 mtp -71.39 -13.49 61.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 175.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.41 81.05 0.21 Allowed 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 126.273 1.829 . . . . 0.0 110.48 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 18.9 m -91.76 115.59 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.464 1.126 . . . . 0.0 112.575 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -118.86 32.41 6.15 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.419 ' OD2' HG23 ' B' ' 52' ' ' VAL . 26.7 t0 -49.09 122.11 5.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 112.607 -2.088 . . . . 0.0 111.328 -172.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -77.28 12.93 1.3 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.419 HG23 ' OD2' ' B' ' 50' ' ' ASP . 22.7 m -98.54 -8.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 172.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -118.83 102.53 8.87 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.792 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -114.85 19.89 15.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 45.59 -164.2 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 126.49 1.916 . . . . 0.0 113.32 -174.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.0 -25.42 65.39 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 t60 72.41 28.42 2.3 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 110.303 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -84.18 83.15 8.07 Favored 'General case' 0 N--CA 1.427 -1.606 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.702 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -98.47 116.99 31.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -84.26 124.52 31.31 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.267 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -136.92 130.47 31.68 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--N 1.282 -2.366 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.616 -174.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.86 122.42 12.17 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.418 0.628 . . . . 0.0 110.662 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mmt -83.67 -3.97 58.2 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.258 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.41 -41.24 79.88 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.572 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 10.8 pt20 -80.17 -24.95 39.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 0.0 111.332 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.71 -45.4 52.46 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -30.48 71.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.011 177.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.572 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 9.8 t-20 -58.48 -50.31 74.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.359 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.39 -37.78 80.69 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.426 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.52 -51.72 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.01 -52.35 65.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 123.251 0.344 . . . . 0.0 111.138 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -60.31 -44.48 95.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -70.48 -38.51 74.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.925 0.393 . . . . 0.0 110.706 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HD3' HD11 ' A' ' 42' ' ' ILE . 33.9 ttpt -61.15 -43.77 98.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.543 175.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 60.2 mtpt -68.77 -34.71 76.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 48.5 mt-10 -58.43 -42.61 87.67 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -67.18 -43.84 81.18 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 15' ' ' LYS . 90.5 mt -55.53 -40.25 57.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.307 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 77.2 mt-30 -57.54 -43.98 84.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.433 0.458 . . . . 0.0 110.811 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HB3' HG12 ' B' ' 10' ' ' ILE . 3.1 mm? -62.3 -52.41 63.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.31 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 1.6 m -65.91 -31.39 53.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.366 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -67.32 -48.35 67.83 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 122.147 -0.346 . . . . 0.0 111.6 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -64.95 -19.12 65.8 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.719 0.295 . . . . 0.0 111.156 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.0 t-80 -55.39 -42.99 74.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.517 0.727 . . . . 0.0 110.584 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -8.19 0.2 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.649 -1.262 . . . . 0.0 113.503 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -56.65 141.67 42.74 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' HG21 ' A' ' 31' ' ' VAL . 13.3 m-20 -77.61 163.78 25.93 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.552 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.7 m80 -60.03 -34.8 73.87 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 t70 -56.76 -44.5 81.85 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.58 1.152 . . . . 0.0 110.327 175.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -68.03 -38.52 82.64 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 27' ' ' ASP . 84.7 t -64.87 -38.93 84.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.866 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 92.8 mt -63.51 -47.33 82.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.006 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 48.2 mt -69.43 -38.34 77.83 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.52 -52.38 53.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -59.5 -39.18 82.96 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -74.46 -38.08 63.06 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 44.5 t0 -69.21 -38.69 78.7 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.987 0.898 . . . . 0.0 109.139 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.9 tp -67.02 -42.04 85.58 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.516 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.09 -41.9 99.5 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.254 0.549 . . . . 0.0 110.102 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 20.4 pttp -70.52 -32.53 70.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.887 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 49.6 tp -67.97 -36.84 80.74 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' ' HG3' ' A' ' 46' ' ' MET . 70.9 mt -73.5 -51.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.178 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.33 -31.93 55.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.872 0.469 . . . . 0.0 111.775 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 39.2 ttmt -57.72 -48.77 78.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.119 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' HB3' HD23 ' B' ' 26' ' ' LEU . 38.1 m-85 -80.56 -27.99 37.36 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.311 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.653 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 82.5 mtp -68.66 -33.06 73.34 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.895 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.7 m120 60.33 32.68 20.76 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 121.416 0.627 . . . . 0.0 110.502 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 m -77.05 82.14 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 CA-C-O 123.333 1.54 . . . . 0.0 114.182 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -118.22 9.22 12.5 Favored 'General case' 0 C--N 1.27 -2.884 0 CA-C-N 112.389 -2.187 . . . . 0.0 107.249 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.32 94.94 6.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.595 -1.639 . . . . 0.0 110.803 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -131.63 13.82 4.93 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 m -108.71 35.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.932 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -83.11 70.54 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.24 0.543 . . . . 0.0 110.389 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? 164.41 162.52 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 127.542 2.337 . . . . 0.0 105.171 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -104.81 162.96 12.86 Favored 'General case' 0 C--N 1.281 -2.393 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -128.11 81.4 2.02 Favored 'General case' 0 N--CA 1.415 -2.215 0 CA-C-O 122.109 0.957 . . . . 0.0 109.427 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -126.71 -26.03 3.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.517 -1.219 . . . . 0.0 112.367 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.38 -30.52 27.33 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -79.43 94.72 5.6 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -107.05 118.6 37.13 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.928 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -76.2 149.76 37.2 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.409 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 . . . . . 0 C--N 1.296 -1.726 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.04 105.22 7.98 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 123.575 0.547 . . . . 0.0 109.758 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.9 mtp -62.76 -34.27 76.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.63 96.78 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 14.9 mm100 -69.71 -42.07 74.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.397 -0.402 . . . . 0.0 109.938 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.25 -45.12 84.25 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.887 0.742 . . . . 0.0 109.861 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -62.76 -36.31 82.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.543 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -76.39 -20.39 57.18 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.222 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.6 mmtp -75.24 -35.99 61.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.495 HG12 ' HB3' ' A' ' 20' ' ' LEU . 82.3 mt -61.06 -48.43 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.856 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 65.9 mm-40 -54.36 -51.39 64.94 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.567 0.542 . . . . 0.0 109.774 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.75 -53.72 53.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.391 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -65.37 -41.07 94.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.563 ' O ' HG13 ' B' ' 18' ' ' ILE . 31.3 ttpt -58.04 -45.06 87.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 64.1 mtpt -64.83 -39.27 93.3 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.73 -37.68 79.6 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.204 0.526 . . . . 0.0 109.592 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.422 ' O ' HG21 ' B' ' 21' ' ' VAL . 16.1 tp -69.74 -47.3 63.54 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.498 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.4 mt -53.66 -44.11 56.95 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 123.576 0.547 . . . . 0.0 110.001 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.676 0.61 . . . . 0.0 111.531 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.5 mt -78.48 -45.81 21.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 21.4 t -60.96 -35.87 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.65 -51.46 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -75.32 2.6 10.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 36.6 t-80 -73.6 -29.53 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.29 0.98 0.41 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.056 -1.069 . . . . 0.0 112.317 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -73.06 136.74 45.01 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-O 121.952 0.882 . . . . 0.0 112.429 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.534 ' O ' HG21 ' B' ' 31' ' ' VAL . 20.6 m-20 -79.83 166.02 22.14 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.577 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 82.9 m-70 -64.36 -26.49 68.49 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 118.721 0.691 . . . . 0.0 112.276 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.81 -43.79 92.02 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 18.0 mmtp -61.15 -40.27 93.21 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.88 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.534 HG21 ' O ' ' B' ' 27' ' ' ASP . 57.6 t -62.91 -43.38 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 123.019 0.527 . . . . 0.0 110.155 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.3 mt -62.1 -50.1 73.3 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.902 0.481 . . . . 0.0 110.409 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.13 -40.93 97.58 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -66.78 -52.61 42.1 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.001 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.9 p -59.36 -39.18 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 17.5 ptm180 -70.76 -40.66 72.55 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.99 -37.75 66.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.41 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.84 -46.12 90.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.099 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.68 -39.47 88.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.078 0.466 . . . . 0.0 110.145 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.57 -31.98 65.66 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.462 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.5 tt -62.94 -43.62 98.31 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.8 mt -67.58 -51.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.775 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -56.03 -32.75 64.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -55.6 -38.62 69.66 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 124.334 1.054 . . . . 0.0 109.717 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' HD23 ' A' ' 26' ' ' LEU . 36.6 m-85 -94.66 -31.36 13.87 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.1 mtp -69.73 -39.53 76.74 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.255 0.55 . . . . 0.0 109.813 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 67.21 9.37 6.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.272 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 14.4 m -99.56 94.59 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.924 0 CA-C-O 123.044 1.402 . . . . 0.0 110.65 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.444 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 7.4 mtpm? -113.87 41.65 2.18 Favored 'General case' 0 C--N 1.266 -3.048 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.793 -177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' B' ' 52' ' ' VAL . 25.6 m-20 -78.13 37.53 0.26 Allowed 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.883 -173.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.471 ' HB3' ' HZ1' ' B' ' 51' ' ' LYS . 0.7 OUTLIER -78.33 4.93 11.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.059 0.933 . . . . 0.0 109.696 178.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' B' ' 50' ' ' ASP . 31.0 m -74.78 -26.78 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.555 174.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -122.35 -13.22 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 76.86 -179.92 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.963 1.705 . . . . 0.0 109.426 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.35 147.88 29.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -74.59 137.01 42.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -78.63 -32.54 47.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 66.92 35.52 4.76 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.37 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -89.95 78.03 6.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -141.84 140.05 32.85 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.235 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -98.68 9.61 42.94 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 122.133 0.968 . . . . 0.0 109.55 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 79.6 t60 . . . . . 0 C--N 1.306 -1.317 0 CA-C-N 114.003 -1.453 . . . . 0.0 108.722 178.061 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 CA--C 1.494 -1.181 0 CA-C-O 120.987 0.422 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -118.1 136.62 53.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 172.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.95 -0.47 24.45 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.06 -49.08 78.53 Favored Glycine 0 C--N 1.314 -0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.91 -34.79 75.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.089 0.471 . . . . 0.0 111.085 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.87 -44.6 76.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.251 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -30.29 70.07 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.065 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -63.65 -41.64 98.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.1 -46.0 92.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.789 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.4 -53.55 44.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.588 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -56.24 -53.42 57.39 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.553 0.533 . . . . 0.0 110.921 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -56.71 -49.87 73.87 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 123.907 0.754 . . . . 0.0 112.742 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.62 -35.03 76.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.385 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.5 ttpt -59.63 -48.56 81.19 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 123.92 0.888 . . . . 0.0 109.173 173.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.04 -41.54 90.73 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.256 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -57.56 -38.17 74.35 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.535 0.522 . . . . 0.0 109.913 173.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 21' ' ' VAL . 15.7 tp -67.65 -47.08 70.56 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.448 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.7 mt -55.12 -42.91 67.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 O-C-N 123.741 0.651 . . . . 0.0 110.184 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -57.71 -42.78 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.653 0.596 . . . . 0.0 110.904 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.79 -48.03 64.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.622 ' O ' HD12 ' A' ' 26' ' ' LEU . 23.7 t -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.08 0.467 . . . . 0.0 110.134 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.83 -52.44 64.14 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.426 0.69 . . . . 0.0 112.528 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.43 -19.15 65.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.12 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.9 t-80 -55.0 -33.93 63.01 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.464 0.706 . . . . 0.0 110.969 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.0 3.93 0.17 Allowed Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 119.215 -1.469 . . . . 0.0 113.197 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.8 mp -69.55 144.62 53.04 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 121.726 0.774 . . . . 0.0 112.059 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.53 ' O ' HG21 ' A' ' 31' ' ' VAL . 13.3 m-20 -83.4 169.51 15.49 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.022 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.586 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -57.65 -43.78 85.19 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.386 0.429 . . . . 0.0 110.46 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.9 t70 -63.56 -37.88 89.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.757 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.56 -41.78 96.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.631 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 27' ' ' ASP . 46.3 t -62.09 -41.7 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.6 mt -62.18 -50.09 73.22 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.597 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 78.1 mt -59.28 -48.88 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.51 0.506 . . . . 0.0 110.313 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.14 -52.41 64.98 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.28 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -60.78 -42.81 98.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.8 ptm180 -72.53 -34.14 67.36 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.539 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 5.0 t70 -78.29 -36.78 46.14 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.804 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.727 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.08 -44.53 87.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.954 0.407 . . . . 0.0 110.339 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 37' ' ' ASP . 54.0 mtmt -64.51 -42.11 96.01 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.709 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.61 -43.19 84.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 123.629 0.581 . . . . 0.0 111.345 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.717 ' O ' ' HG3' ' A' ' 46' ' ' MET . 72.4 mt -67.1 -54.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.123 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -56.63 -30.9 63.8 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -57.92 -49.68 75.93 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.75 1.22 . . . . 0.0 109.92 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -77.44 -26.47 51.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.514 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.717 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 51.3 mtp -73.68 -18.93 60.96 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.1 t30 69.46 20.2 7.29 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 122.954 1.359 . . . . 0.0 108.301 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -102.18 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.221 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -112.3 39.01 2.55 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 t70 69.81 -178.7 0.22 Allowed 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.677 -172.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -97.56 9.2 43.08 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 121.725 0.774 . . . . 0.0 110.288 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.95 -23.34 12.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.872 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -88.67 105.66 17.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -91.46 103.71 16.3 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.044 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' H ' HD22 ' A' ' 55' ' ' LEU . 1.9 pt? -106.41 103.65 13.15 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.56 -37.55 18.04 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -134.98 144.09 47.21 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -86.48 67.11 9.8 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 119.421 -0.911 . . . . 0.0 109.928 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -89.97 72.03 7.46 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.479 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -109.12 10.01 26.07 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -97.11 135.08 39.59 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 114.191 -1.368 . . . . 0.0 108.23 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 m80 . . . . . 0 C--N 1.289 -2.062 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -178.102 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 CA--C 1.504 -0.826 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -95.98 113.26 24.87 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.7 mmt -59.74 -35.58 74.87 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 123.681 0.613 . . . . 0.0 112.303 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.74 -37.97 95.7 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.726 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 17.5 mm-40 -81.57 -35.87 29.71 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.189 0.519 . . . . 0.0 110.103 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.27 -44.74 95.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.093 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -34.77 79.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.409 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -61.12 -45.05 96.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.241 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 75.3 mmtt -65.27 -38.78 91.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.54 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.27 -49.97 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -56.12 -51.2 68.77 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 123.505 0.503 . . . . 0.0 110.21 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -58.16 -47.22 84.04 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.93 0.769 . . . . 0.0 111.596 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.53 -45.11 76.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.033 0.444 . . . . 0.0 111.306 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.9 ttpt -56.41 -46.16 80.33 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 124.541 1.136 . . . . 0.0 109.364 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.47 -41.01 93.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.231 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.527 ' O ' HD21 ' B' ' 20' ' ' LEU . 35.2 mt-10 -55.06 -45.9 75.34 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 123.654 0.596 . . . . 0.0 110.119 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.461 ' O ' HD21 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -63.24 -44.72 94.4 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.29 -179.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 14' ' ' LYS . 64.4 mt -56.67 -38.48 57.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.51 -36.0 77.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.02 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.527 HD21 ' O ' ' B' ' 16' ' ' GLU . 2.1 mm? -74.82 -49.44 20.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.401 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.0 p -66.92 -30.8 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 119.479 -0.888 . . . . 0.0 112.58 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.76 -45.44 92.66 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 122.198 -0.314 . . . . 0.0 111.184 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -74.01 -12.27 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.672 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 22.1 t-80 -58.92 -42.73 90.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.08 0.466 . . . . 0.0 110.148 175.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.95 -16.62 0.06 OUTLIER Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.404 -176.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.8 mp -53.21 134.31 39.13 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 121.553 0.692 . . . . 0.0 112.606 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.548 ' O ' HG22 ' B' ' 31' ' ' VAL . 5.6 t70 -86.12 -177.5 6.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.533 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 12.2 m170 -61.08 -36.41 79.56 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 122.55 0.34 . . . . 0.0 110.602 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -71.24 -39.79 71.44 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.923 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.414 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 31.8 mmtm -62.36 -38.41 89.43 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.258 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.548 HG22 ' O ' ' B' ' 27' ' ' ASP . 38.8 t -67.35 -34.93 72.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 89.2 mt -69.7 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -42.77 99.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.134 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -63.38 -51.73 64.65 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -60.04 -35.68 75.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -77.92 -35.79 50.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 3.8 t70 -75.01 -32.21 61.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.7 -47.75 68.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.051 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.78 -43.73 90.5 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.274 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 43.9 pttt -64.94 -37.87 89.09 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.494 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.78 -35.6 78.98 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.526 0.679 . . . . 0.0 109.358 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.574 ' O ' ' HG2' ' B' ' 46' ' ' MET . 61.2 mt -73.37 -51.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.91 -35.87 69.52 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.002 0.43 . . . . 0.0 110.932 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.82 -52.81 62.73 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.231 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD23 ' A' ' 26' ' ' LEU . 55.3 m-85 -75.95 -23.51 55.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.8 mmm -73.04 -8.57 56.35 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 69.51 21.86 6.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.234 1.414 . . . . 0.0 110.739 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -113.82 108.64 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 CA-C-O 122.627 1.203 . . . . 0.0 110.713 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -144.01 44.11 1.45 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.738 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.79 79.18 0.62 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.935 1.35 . . . . 0.0 110.967 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -113.3 20.65 15.98 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.033 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.5 m -61.68 110.01 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.907 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -97.55 142.56 29.23 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.33 -173.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -87.69 162.52 17.04 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.601 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -108.04 143.91 36.11 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' B' ' 61' ' ' HIS . 0.4 OUTLIER -115.89 120.98 40.99 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 178.123 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -128.62 139.97 52.0 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.446 0.641 . . . . 0.0 111.534 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 63.51 19.22 11.58 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 124.542 1.137 . . . . 0.0 113.892 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 73.22 19.23 3.61 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.118 0.967 . . . . 0.0 111.092 173.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.87 -40.53 0.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.259 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.478 ' O ' ' HA ' ' B' ' 56' ' ' GLU . 18.2 m-70 -80.12 104.4 10.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.565 0.221 . . . . 0.0 111.104 -171.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 C--N 1.3 -1.561 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.819 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 CA--C 1.503 -0.831 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 33.3 mt-10 -56.29 122.68 12.37 Favored 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 123.456 0.473 . . . . 0.0 110.667 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -76.17 -18.3 59.16 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.522 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.76 94.3 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 7.2 pt20 -74.83 -32.89 62.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 HD13 ' HD1' ' B' ' 24' ' ' HIS . 2.8 tm? -61.22 -41.67 97.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.594 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.23 -35.49 81.0 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.61 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.1 mmmt -68.84 -40.15 79.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mt -56.99 -48.15 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 49.7 mm-40 -57.35 -52.6 64.69 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.453 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.56 -40.9 93.3 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.742 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 1.9 tppp? -74.62 -39.62 62.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.1 ttpt -56.32 -47.98 77.64 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.23 1.012 . . . . 0.0 109.194 173.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 18' ' ' ILE . 44.0 mttm -58.28 -39.37 79.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.814 0.846 . . . . 0.0 112.674 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 59.8 mm-40 -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.717 0.77 . . . . 0.0 109.594 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -66.44 -43.27 86.1 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.537 -1.21 . . . . 0.0 111.179 -177.566 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.2 mt -55.82 -41.95 68.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.01 -33.36 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.355 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.4 mp -69.22 -52.27 29.48 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.748 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.56 ' O ' HD12 ' A' ' 26' ' ' LEU . 17.4 t -60.04 -40.92 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 121.086 0.47 . . . . 0.0 109.926 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.39 69.71 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 123.613 0.765 . . . . 0.0 112.293 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.2 -18.64 64.63 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.709 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' HB2' HD12 ' B' ' 6' ' ' LEU . 85.7 t60 -60.37 -37.76 81.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.426 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.15 6.36 0.09 OUTLIER Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 118.928 -1.606 . . . . 0.0 113.691 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.3 mp -66.64 146.45 54.47 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-O 121.621 0.724 . . . . 0.0 112.034 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.522 ' O ' HG21 ' A' ' 31' ' ' VAL . 11.3 m-20 -77.39 167.68 21.27 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.31 -39.17 92.15 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.9 m-20 -63.06 -41.31 99.43 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.788 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -59.91 -44.39 94.32 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.491 0.495 . . . . 0.0 110.569 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 27' ' ' ASP . 55.4 t -59.27 -43.31 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 123.546 0.529 . . . . 0.0 110.132 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.9 mt -63.25 -48.01 80.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.593 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 70.4 mt -65.98 -44.64 84.28 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.613 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.98 -51.23 70.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.964 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 p -60.95 -41.38 96.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.24 -34.84 63.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.384 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.89 -40.67 72.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.5 tp -58.33 -47.23 84.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.951 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.67 -45.46 94.08 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.429 0.456 . . . . 0.0 110.212 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.21 -36.46 83.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.088 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.28 -39.72 95.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.681 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.0 mt -65.5 -54.18 31.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -52.16 -38.4 57.54 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.851 0.86 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -57.74 -49.6 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.342 1.057 . . . . 0.0 110.448 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -75.29 -33.1 61.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.681 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.2 mtp -65.57 -26.37 67.83 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 58.35 74.34 0.44 Allowed 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 125.267 1.427 . . . . 0.0 108.779 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -103.06 132.89 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.086 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -112.99 86.11 2.31 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' OD1' HG23 ' A' ' 52' ' ' VAL . 4.3 t70 -126.95 154.09 44.99 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.131 -0.941 . . . . 0.0 112.733 -172.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 15.6 pttm -52.74 -35.5 56.14 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 127.589 2.355 . . . . 0.0 116.227 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 ' OD1' ' A' ' 50' ' ' ASP . 34.7 m -106.07 -12.78 9.74 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.188 0 CA-C-O 121.035 0.445 . . . . 0.0 112.023 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -87.24 -16.71 34.45 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.329 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -136.79 149.08 47.57 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.143 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.94 123.9 14.36 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.588 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -107.8 -1.75 20.59 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.354 0.597 . . . . 0.0 110.19 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.05 147.24 38.85 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.498 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -82.91 -28.89 29.61 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.142 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 68.4 -46.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.643 1.577 . . . . 0.0 113.608 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -79.19 94.86 5.48 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -89.2 -23.43 22.39 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.519 0.676 . . . . 0.0 109.888 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 N--CA 1.422 -1.857 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.569 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.0 tpp . . . . . 0 CA--C 1.509 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -127.99 136.67 51.62 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 64.2 mtt -123.91 -44.83 2.04 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.417 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 -43.13 78.13 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -68.88 -21.85 64.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.779 0.799 . . . . 0.0 109.321 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 24' ' ' HIS . 2.6 tm? -80.16 -51.96 8.35 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.043 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.42 82.87 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.549 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.77 -44.54 96.63 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.395 0.434 . . . . 0.0 110.228 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -62.56 -49.78 73.92 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 123.331 0.394 . . . . 0.0 111.036 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 20' ' ' LEU . 60.2 mt -50.25 -54.38 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 0.0 111.033 175.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 54.9 mm-40 -58.78 -55.29 36.98 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 123.331 0.395 . . . . 0.0 111.036 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -58.21 -47.5 83.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.36 -37.96 80.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.481 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.75 -48.09 83.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.106 0.963 . . . . 0.0 109.054 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.3 mtpm? -62.78 -40.62 97.88 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.435 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.89 -41.22 82.13 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 110.325 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -45.16 69.98 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 14' ' ' LYS . 93.6 mt -55.03 -42.56 65.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 123.32 0.388 . . . . 0.0 110.052 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.03 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.16 -49.37 44.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.581 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.18 -40.02 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 121.283 0.564 . . . . 0.0 109.896 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.03 79.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.546 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -76.31 1.27 16.6 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.474 ' HD1' HD13 ' A' ' 6' ' ' LEU . 84.8 t60 -74.33 -29.28 61.53 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.99 42.34 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.872 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.2 mt -96.89 149.05 22.31 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.621 0.724 . . . . 0.0 111.676 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.47 ' O ' HG22 ' B' ' 31' ' ' VAL . 24.7 t70 -81.93 167.64 18.73 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.559 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 32.1 t60 -58.49 -33.92 70.33 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.846 0.294 . . . . 0.0 110.342 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -36.42 77.6 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.5 mmtm -67.37 -43.52 81.22 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.025 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -60.98 -42.85 94.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 O-C-N 123.647 0.592 . . . . 0.0 109.646 177.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 54.6 mt -65.74 -47.25 75.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.682 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.59 -43.01 91.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.189 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -64.59 -49.9 69.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -58.51 -39.15 79.3 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 13.3 ptm180 -77.0 -41.25 43.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.189 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -28.86 62.09 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.47 -41.44 93.36 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.35 -46.71 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 94.3 mttt -55.33 -49.3 72.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.127 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.69 -42.72 89.21 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.999 0.519 . . . . 0.0 111.358 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.2 mt -66.23 -53.8 33.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -51.4 -38.3 52.75 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.118 0.967 . . . . 0.0 111.34 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.06 -43.87 87.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.094 0.958 . . . . 0.0 110.394 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -86.15 -24.22 26.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.772 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 63.3 mtp -79.11 -6.57 56.78 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.522 0.677 . . . . 0.0 109.324 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 63.4 64.66 0.8 Allowed 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 125.72 1.608 . . . . 0.0 111.783 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.02 142.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -101.56 31.23 3.87 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-O 122.197 0.999 . . . . 0.0 109.31 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 67.64 160.13 0.16 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 127.066 2.146 . . . . 0.0 112.839 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.29 15.29 2.5 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.824 0.85 . . . . 0.0 112.446 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.7 m -105.6 129.81 57.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.673 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -79.52 140.29 37.3 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' B' ' 54' ' ' LYS . 2.1 mptp? -78.0 132.42 37.81 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.241 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.13 127.68 33.55 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -171.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 45.79 105.94 0.0 OUTLIER 'General case' 0 C--O 1.242 0.704 0 C-N-CA 127.449 2.3 . . . . 0.0 115.78 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -172.2 -50.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -76.99 133.24 39.22 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.854 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -95.85 -58.35 2.12 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.348 0.594 . . . . 0.0 111.009 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -113.83 16.49 18.42 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 122.132 0.968 . . . . 0.0 110.942 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -121.49 125.08 45.99 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.463 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? . . . . . 0 CA--C 1.517 -0.325 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 2.0 mp0 53.68 95.19 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.16 1.384 . . . . 0.0 113.696 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -86.65 -15.88 38.31 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.189 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.37 -44.15 98.05 Favored Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 28.4 pt20 -63.83 -34.47 78.0 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 110.69 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' B' ' 24' ' ' HIS . 3.0 tm? -69.09 -46.76 66.97 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -34.19 77.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.776 178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.45 -48.46 81.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.72 0.808 . . . . 0.0 109.086 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.85 -38.62 91.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.092 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -58.52 -52.04 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -56.55 -45.04 81.42 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.713 0.633 . . . . 0.0 110.477 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.76 -53.49 57.2 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.946 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -71.39 -35.76 71.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.6 ttpt -57.75 -49.44 76.56 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.139 0.976 . . . . 0.0 109.37 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 7.7 mtpm? -67.33 -36.71 82.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.993 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.25 -41.3 83.92 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-O 121.601 0.715 . . . . 0.0 110.161 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 21' ' ' VAL . 11.8 tp -69.16 -45.18 70.68 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.034 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.6 mt -55.18 -40.88 57.57 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 O-C-N 123.538 0.524 . . . . 0.0 109.758 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.0 mt-30 -55.91 -46.06 78.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.658 0.599 . . . . 0.0 110.539 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -68.54 -46.15 70.29 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.34 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 22.8 t -64.53 -33.22 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.228 0.537 . . . . 0.0 110.337 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -52.88 34.23 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.5 ptm180 -66.82 -18.94 65.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.516 0.51 . . . . 0.0 112.039 -178.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.9 t-80 -50.67 -45.76 58.23 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.17 41.17 0.03 OUTLIER Glycine 0 N--CA 1.42 -2.415 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.23 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 19.7 mt -91.0 158.35 16.75 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 121.484 0.659 . . . . 0.0 111.501 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 31' ' ' VAL . 18.6 m-20 -83.36 168.03 17.0 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.581 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.3 t-80 -61.64 -41.94 98.2 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.7 p30 -62.03 -37.91 86.69 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.486 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.4 mmtm -62.56 -46.73 87.0 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.622 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 27' ' ' ASP . 43.6 t -58.98 -40.41 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 53.9 mt -64.83 -51.75 60.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.7 mt -63.24 -42.28 99.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.599 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -61.45 -54.76 39.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.21 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 p -62.25 -35.97 80.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -74.57 -37.77 62.87 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.527 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.0 -39.21 79.46 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.58 -43.91 92.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.191 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.43 -44.74 96.6 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.49 -35.79 81.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.31 -42.28 99.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 109.812 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -49.47 76.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.29 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -56.39 -36.39 68.83 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.553 0.216 . . . . 0.0 111.221 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -58.02 -49.71 75.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 110.69 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -81.31 -28.94 34.37 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -70.63 -30.67 67.37 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 56.63 77.04 0.27 Allowed 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 124.818 1.324 . . . . 0.0 110.589 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.41 92.13 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.275 0 CA-C-O 122.294 1.045 . . . . 0.0 109.502 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -142.58 109.9 5.66 Favored 'General case' 0 C--N 1.261 -3.274 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.47 87.91 0.65 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.519 0.676 . . . . 0.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -98.84 12.74 34.82 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.582 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.65 134.75 57.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.287 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -135.89 87.5 2.32 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt 67.3 -168.01 0.2 Allowed 'General case' 0 C--O 1.241 0.64 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.239 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 mt 57.08 86.68 0.07 Allowed 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.592 1.157 . . . . 0.0 113.202 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -111.69 104.61 12.97 Favored 'General case' 0 C--N 1.271 -2.841 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.595 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -118.69 80.15 1.49 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.712 0.768 . . . . 0.0 111.677 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -167.03 105.07 0.56 Allowed 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -126.46 -166.6 1.6 Allowed 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.389 -173.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -81.48 -34.1 31.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -85.87 91.28 8.3 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-O 121.638 0.732 . . . . 0.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 . . . . . 0 C--N 1.294 -1.832 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 174.003 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -80.43 158.73 25.86 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.566 179.251 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 68.7 mtm -88.7 1.4 55.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.53 -44.1 34.4 Favored Glycine 0 C--N 1.308 -0.993 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 4.4 pt20 -66.36 -34.17 77.36 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.813 -0.693 . . . . 0.0 109.935 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.93 -44.12 77.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.025 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HG2' ' HE3' ' B' ' 46' ' ' MET . 0.0 OUTLIER -64.13 -36.09 82.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.318 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.1 -39.88 87.68 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.437 0.46 . . . . 0.0 109.826 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -72.4 -34.32 67.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.01 -49.84 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.35 -50.14 70.41 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.769 0.668 . . . . 0.0 110.392 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -53.77 -49.69 67.69 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.615 1.197 . . . . 0.0 111.513 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.73 -40.77 47.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.379 -174.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.4 ttpt -58.04 -48.92 78.63 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 124.304 1.041 . . . . 0.0 109.596 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.442 ' HA ' HD11 ' B' ' 18' ' ' ILE . 33.9 mttp -62.01 -39.59 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.45 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.08 -41.07 82.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.552 0.691 . . . . 0.0 111.057 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -43.38 76.3 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.794 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 14' ' ' LYS . 97.4 mt -55.32 -41.31 61.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 123.564 0.54 . . . . 0.0 109.631 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -58.11 -38.54 76.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.456 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.46 -49.39 41.88 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.564 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.57 -37.27 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 121.379 0.609 . . . . 0.0 110.285 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.491 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.55 -52.44 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.684 0.794 . . . . 0.0 112.492 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.18 -19.08 65.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.806 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.415 ' HB2' HD12 ' A' ' 6' ' ' LEU . 86.6 t60 -62.54 -37.1 84.8 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.77 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.61 -16.9 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.338 0 C-N-CA 119.457 -1.354 . . . . 0.0 112.433 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.26 132.04 42.81 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.553 ' O ' HG22 ' B' ' 31' ' ' VAL . 12.4 m-20 -71.8 168.13 18.49 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.436 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.456 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 24.6 t60 -62.14 -37.17 84.18 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.601 . . . . 0.0 109.537 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.293 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 35.1 mmtm -60.53 -42.24 96.09 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.087 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.553 HG22 ' O ' ' B' ' 27' ' ' ASP . 39.5 t -64.71 -43.25 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.768 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.8 mt -62.51 -43.09 99.67 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.28 -44.42 68.43 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.314 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -64.38 -45.73 86.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.135 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.2 p -59.91 -46.19 90.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 11.1 ptm180 -72.17 -33.4 67.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.55 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.685 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 7.2 t70 -75.21 -37.33 61.17 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.665 0.745 . . . . 0.0 109.136 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.93 -42.58 89.9 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.423 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.96 -39.22 88.7 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.093 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.685 ' HG3' ' O ' ' B' ' 37' ' ' ASP . 1.7 pptp? -70.4 -31.73 69.07 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 120.863 0.363 . . . . 0.0 111.861 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -42.93 95.19 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.682 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.9 mt -69.6 -56.48 11.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.912 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -51.54 -35.53 41.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.984 0.513 . . . . 0.0 111.742 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 -52.59 64.86 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -75.84 -30.97 59.13 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 85.6 mtp -65.42 -22.14 66.74 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.34 0.256 . . . . 0.0 111.034 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 75.02 5.22 4.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.55 1.167 . . . . 0.0 110.84 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' B' ' 46' ' ' MET . 30.3 m -84.17 144.26 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.114 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.426 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.02 36.97 3.44 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' B' ' 52' ' ' VAL . 6.9 p-10 -72.94 78.78 1.17 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.749 1.262 . . . . 0.0 112.119 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -87.34 16.89 4.83 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.229 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.42 ' H ' ' C ' ' B' ' 50' ' ' ASP . 34.5 m -85.98 -14.81 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.548 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.78 175.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -75.69 97.47 3.83 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' B' ' 54' ' ' LYS . 8.4 mtmp? -140.56 160.15 40.63 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -83.58 86.37 7.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 122.096 0.95 . . . . 0.0 108.522 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.68 122.88 44.72 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.019 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -79.0 87.47 4.81 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.571 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -91.84 -0.82 57.54 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.976 -176.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -134.94 165.01 26.31 Favored 'General case' 0 N--CA 1.425 -1.702 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -68.37 -24.38 64.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.016 0.436 . . . . 0.0 111.839 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -153.62 146.29 24.22 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.302 -1.471 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.977 -177.5 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 CA--C 1.498 -1.037 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 116.4 26.02 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 ptp -65.96 -28.04 68.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.42 -49.91 35.46 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.53 -28.93 70.28 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.147 0.579 . . . . 0.0 111.601 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.05 -46.41 67.93 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -27.94 66.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.69 -45.5 93.73 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.111 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -64.26 -37.46 87.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.48 -48.73 86.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.682 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -55.68 -51.08 68.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 123.554 0.534 . . . . 0.0 110.627 176.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.85 -49.52 73.08 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 124.39 1.056 . . . . 0.0 110.374 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -68.53 -43.81 75.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.008 -175.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 ttpt -55.06 -48.11 73.94 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 124.363 1.065 . . . . 0.0 108.703 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HA ' HD13 ' A' ' 18' ' ' ILE . 76.8 mttt -63.7 -41.15 98.16 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.408 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.26 -43.8 88.07 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.636 0.585 . . . . 0.0 109.726 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.05 -45.01 90.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.213 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 14' ' ' LYS . 62.8 mt -58.78 -42.82 86.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -58.81 -38.22 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 110.302 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.3 mt -69.53 -49.24 56.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.898 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.505 ' O ' HD11 ' A' ' 26' ' ' LEU . 2.8 m -66.47 -32.04 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.795 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.56 68.94 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 112.084 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -65.38 -19.04 65.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 86.4 t60 -61.63 -29.34 69.99 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.512 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.09 2.41 0.23 Allowed Glycine 0 C--O 1.223 -0.584 0 C-N-CA 118.738 -1.696 . . . . 0.0 114.434 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD11 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -69.53 151.39 46.07 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 31' ' ' VAL . 21.0 t70 -85.2 159.35 20.13 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 172.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 30.1 m80 -58.41 -27.82 64.65 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.2 t70 -60.93 -42.84 98.91 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.793 0.806 . . . . 0.0 109.499 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -72.06 -34.62 68.89 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.756 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 27' ' ' ASP . 49.1 t -66.77 -41.06 87.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 64.4 mt -64.11 -53.85 43.18 Favored 'General case' 0 C--O 1.205 -1.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.269 177.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.2 mt -59.81 -42.79 94.26 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.48 -52.03 66.19 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.401 ' HB3' HD11 ' A' ' 18' ' ' ILE . 30.7 p -59.53 -37.03 77.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 40.0 mtp85 -72.02 -43.37 65.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.48 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.8 t70 -75.84 -28.51 58.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.417 0.627 . . . . 0.0 110.044 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.48 -44.01 83.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.578 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 46.2 mtpt -54.7 -47.41 73.73 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.504 0.721 . . . . 0.0 111.528 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 ' CD1' ' B' ' 34' ' ' PHE . 2.2 tt -59.58 -48.0 83.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.2 mt -60.98 -54.03 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.557 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -53.62 -36.1 61.66 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.797 0.439 . . . . 0.0 111.397 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.43 -49.96 74.76 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.588 0.755 . . . . 0.0 111.297 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -77.92 -37.07 48.61 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.234 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.478 ' SD ' ' HB ' ' B' ' 21' ' ' VAL . 97.8 mmm -67.7 -25.17 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.196 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.0 t30 70.87 8.81 6.66 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.564 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.82 104.45 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 122.939 1.352 . . . . 0.0 111.566 -176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -103.86 83.66 2.15 Favored 'General case' 0 C--N 1.258 -3.401 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -79.95 176.32 9.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.51 -171.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.24 11.09 26.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.614 0.721 . . . . 0.0 112.247 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.0 m -87.77 163.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.055 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -93.46 -176.5 4.12 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 -175.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 2.9 mmmp? -91.76 158.93 16.08 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 120.78 0.324 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -84.11 -176.85 6.46 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.489 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 42.4 mt-10 77.52 103.11 0.07 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.264 1.026 . . . . 0.0 110.666 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -80.55 99.2 7.95 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.315 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -146.05 152.8 39.92 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -113.84 -30.39 6.76 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 m80 73.21 131.3 0.04 OUTLIER 'General case' 0 C--O 1.245 0.817 0 C-N-CA 125.105 1.362 . . . . 0.0 110.461 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -82.87 4.22 26.46 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 122.04 0.924 . . . . 0.0 109.396 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 N--CA 1.433 -1.311 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.067 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 CA--C 1.502 -0.883 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.45 106.05 14.88 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptp -134.11 8.37 3.74 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.426 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.0 -36.43 11.22 Favored Glycine 0 N--CA 1.43 -1.763 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.046 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 8.2 mm100 -83.25 -25.62 31.48 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? -63.36 -47.11 83.47 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 172.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.42 73.87 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.065 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 24.5 t-20 -58.43 -48.66 79.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.256 175.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 29.3 mtpp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.66 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.19 -50.91 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 123.633 0.583 . . . . 0.0 110.512 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -57.71 -54.41 47.23 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.226 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.53 -41.79 77.36 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.691 0.62 . . . . 0.0 112.452 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.08 -47.41 62.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.463 ' HD3' HD11 ' B' ' 42' ' ' ILE . 28.1 ttpt -57.56 -43.9 84.84 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 123.706 0.803 . . . . 0.0 109.229 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.92 -39.27 93.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.724 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 42.0 mt-10 -55.22 -41.85 72.58 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.89 66.85 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.866 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.49 -40.29 81.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.57 -27.21 68.27 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.923 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 87.0 mt -74.05 -51.54 15.49 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.33 0.252 . . . . 0.0 111.204 176.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.5 m -63.03 -27.38 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.47 0.653 . . . . 0.0 110.805 176.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.29 -49.84 62.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.36 -7.54 32.15 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 19.3 t-80 -62.37 -46.89 86.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.7 42.55 0.05 OUTLIER Glycine 0 N--CA 1.422 -2.261 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.581 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 42.6 mt -85.48 132.65 34.17 Favored 'General case' 0 CA--C 1.489 -1.384 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.338 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.79 46.05 0.64 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 66.12 -53.63 0.4 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 126.153 1.781 . . . . 0.0 113.59 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.09 -38.62 83.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 46.2 mmtm -61.28 -42.24 98.3 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.823 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.8 -42.81 93.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.01 -46.99 79.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.487 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.44 -39.15 81.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.828 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.551 ' CD1' HD23 ' A' ' 41' ' ' LEU . 85.7 t80 -63.68 -52.97 58.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.662 0.601 . . . . 0.0 111.295 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -57.86 -42.73 85.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.401 0.438 . . . . 0.0 111.971 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.78 -28.78 60.88 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 11.8 t70 -81.83 -32.17 31.33 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.928 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.85 -38.52 91.41 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.9 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -45.63 93.38 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.068 174.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 48.0 mtpt -55.78 -49.51 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.609 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 56.5 tp -60.55 -43.11 97.57 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.696 0.623 . . . . 0.0 111.133 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.4 mt -64.76 -53.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.008 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.713 0.405 . . . . 0.0 110.615 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 39.5 ttmt -52.61 -39.75 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.774 1.23 . . . . 0.0 110.611 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.416 ' O ' HD12 ' A' ' 26' ' ' LEU . 26.4 m-85 -94.52 -12.53 27.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.1 mtp -87.91 8.99 23.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 0.0 109.837 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 55.8 t30 76.49 68.3 0.06 Allowed 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.591 1.556 . . . . 0.0 113.127 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.55 139.08 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -111.88 90.1 3.25 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 121.488 0.661 . . . . 0.0 110.294 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -92.07 162.35 14.4 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.437 ' HB2' ' HZ3' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -78.08 -7.13 56.56 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.637 0.732 . . . . 0.0 111.691 -174.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.89 -12.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.528 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.15 -17.08 28.28 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 51.34 76.64 0.16 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.482 -1.236 . . . . 0.0 110.829 -171.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.63 141.54 58.74 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.844 -174.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -104.72 99.51 9.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -136.18 -75.54 0.43 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.278 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 m80 67.23 -172.6 0.19 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.873 0.869 . . . . 0.0 109.225 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' B' ' 61' ' ' HIS . 25.3 m-70 -90.21 -39.84 12.56 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . 0.328 14.1 p80 56.48 -25.67 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 127.635 2.374 . . . . 0.0 116.717 175.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' B' ' 59' ' ' HIS . 60.2 m80 -86.22 118.34 25.61 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.292 -1.924 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.595 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 C--O 1.248 1.009 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.62 118.87 5.14 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -177.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 ptp -64.01 -28.9 70.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 -48.28 63.25 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.6 mt-30 -59.0 -46.75 87.4 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.18 -49.1 78.23 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.985 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -63.95 -37.75 88.55 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.53 -38.59 91.55 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 66.9 mttm -62.4 -49.37 75.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -57.39 -49.65 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.228 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.07 -52.82 61.99 Favored 'General case' 0 CA--C 1.503 -0.831 0 O-C-N 123.494 0.496 . . . . 0.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 123.865 0.728 . . . . 0.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -66.41 -46.64 75.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.957 0.408 . . . . 0.0 111.337 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.5 ttpt -57.77 -48.87 78.42 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.446 1.098 . . . . 0.0 109.177 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -63.08 -37.77 88.52 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.841 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.9 mt-10 -57.32 -45.15 84.54 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.349 0.595 . . . . 0.0 109.671 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.67 -43.02 81.2 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.713 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 14' ' ' LYS . 76.4 mt -58.92 -42.43 85.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -61.13 -33.62 73.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.527 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 93.2 mt -73.15 -48.37 36.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.566 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.552 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.1 m -64.78 -31.9 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.029 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.82 -52.03 65.84 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.02 0.528 . . . . 0.0 111.272 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -63.54 -19.03 64.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.959 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.0 t-80 -57.1 -40.51 77.15 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.519 175.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.67 -3.92 0.21 Allowed Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 119.338 -1.411 . . . . 0.0 113.873 -177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -58.22 146.49 33.65 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' HG21 ' A' ' 31' ' ' VAL . 8.1 m-20 -77.67 164.21 25.5 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.547 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 44.7 t-80 -57.24 -39.78 76.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -57.1 -43.86 82.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.14 1.376 . . . . 0.0 110.758 176.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -66.76 -40.45 88.27 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.544 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 27' ' ' ASP . 59.5 t -63.63 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 90.7 mt -62.46 -47.62 83.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 77.8 mt -67.42 -44.6 78.39 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -62.26 -50.28 72.33 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -58.67 -42.68 89.03 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -74.3 -39.05 63.15 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.916 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.27 -36.73 77.41 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 42' ' ' ILE . 20.5 tp -62.75 -49.75 73.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.253 175.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.09 -47.46 77.97 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 121.016 0.436 . . . . 0.0 110.165 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.2 -35.57 81.22 Favored 'General case' 0 N--CA 1.409 -2.483 0 C-N-CA 124.929 1.291 . . . . 0.0 112.267 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.19 -39.61 89.81 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.628 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.3 mt -67.42 -53.63 30.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.149 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -51.78 -35.55 44.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.365 1.066 . . . . 0.0 111.677 177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -64.08 -46.23 85.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.837 0.351 . . . . 0.0 110.706 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -76.66 -32.36 57.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.965 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 67.8 mtp -72.58 -32.92 66.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 69.15 0.28 2.76 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 126.254 1.822 . . . . 0.0 113.375 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.6 m -86.3 80.95 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-O 123.474 1.606 . . . . 0.0 112.36 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -96.03 -11.86 25.8 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-N 112.491 -2.141 . . . . 0.0 106.273 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 52' ' ' VAL . 33.5 t70 176.16 174.99 0.31 Allowed 'General case' 0 N--CA 1.418 -2.047 0 C-N-CA 129.406 3.083 . . . . 0.0 103.12 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -74.48 42.79 0.17 Allowed 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 125.817 1.647 . . . . 0.0 109.254 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' H ' ' C ' ' A' ' 50' ' ' ASP . 7.6 m -38.71 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 127.375 2.27 . . . . 0.0 115.819 -173.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -130.88 -8.61 3.95 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.609 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.83 -172.19 3.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.14 144.97 54.78 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.895 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.66 -57.59 0.52 Allowed 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.03 -35.2 57.14 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.197 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -89.27 138.69 31.21 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -94.27 150.51 20.23 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -74.67 -26.63 59.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.351 0.596 . . . . 0.0 109.768 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -84.73 115.04 22.48 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.825 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 . . . . . 0 C--N 1.306 -1.32 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.61 177.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 C--O 1.243 0.743 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 60.79 -149.99 0.42 Allowed 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 109.459 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt 77.46 -18.96 0.46 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.987 1.315 . . . . 0.0 112.672 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.84 80.65 Favored Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -33.98 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.59 -45.61 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.954 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.0 mmmt -61.49 -36.57 80.85 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.315 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -57.58 -44.58 85.45 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 123.691 0.619 . . . . 0.0 110.415 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -60.54 -47.07 87.81 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.2 -50.88 76.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.25 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 29.2 mm-40 -54.3 -50.78 66.53 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 123.76 0.662 . . . . 0.0 110.375 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.94 -49.05 79.32 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.296 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -38.19 80.87 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.143 0.497 . . . . 0.0 110.52 -176.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.489 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.18 -48.71 80.6 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 124.882 1.273 . . . . 0.0 109.339 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 29.7 mtpp -65.62 -30.85 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.918 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 48.4 mt-10 -64.43 -42.63 95.92 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -45.68 71.77 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.492 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 14' ' ' LYS . 96.1 mt -53.8 -44.04 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 123.533 0.521 . . . . 0.0 110.163 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.99 -23.66 60.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.746 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 86.8 mt -73.13 -48.55 34.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.4 t -59.83 -35.97 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.507 0.67 . . . . 0.0 109.918 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.44 -51.99 65.31 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.474 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.76 -5.24 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.067 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.6 t-80 -64.86 -37.47 87.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.78 33.1 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.864 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 29.3 mt -91.37 150.68 21.17 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 121.557 0.694 . . . . 0.0 111.706 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.519 ' O ' HG22 ' B' ' 31' ' ' VAL . 14.1 m-20 -77.49 161.54 27.85 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.628 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 63.9 m-70 -61.78 -29.45 70.15 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.932 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 9.1 m-20 -65.27 -42.85 92.8 Favored 'General case' 0 CA--C 1.506 -0.745 0 O-C-N 123.349 0.405 . . . . 0.0 110.485 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -58.08 -46.74 84.96 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.713 0.633 . . . . 0.0 109.597 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.519 HG22 ' O ' ' B' ' 27' ' ' ASP . 46.5 t -58.32 -44.31 88.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 123.752 0.821 . . . . 0.0 110.168 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 95.5 mt -61.35 -50.17 74.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 69.8 mt -63.67 -42.02 98.12 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.308 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -64.88 -52.88 54.17 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.001 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 11.9 ptm180 -77.69 -36.67 50.93 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.504 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.71 -40.5 76.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.5 -44.27 96.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.541 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.67 -41.7 91.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.702 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 26.7 mtpp -67.82 -46.96 70.39 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.99 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.4 tp -55.77 -42.14 75.05 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 122.743 0.417 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.71 ' O ' ' HG3' ' B' ' 46' ' ' MET . 60.9 mt -65.05 -60.01 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.403 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.74 -32.66 67.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.651 0.38 . . . . 0.0 111.667 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -58.57 -51.63 69.06 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.764 1.225 . . . . 0.0 109.755 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.426 ' HB3' HD23 ' A' ' 26' ' ' LEU . 12.0 m-85 -74.39 -32.45 62.73 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.71 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.7 mtp -65.45 -28.9 69.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 63.94 47.73 3.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 122.744 1.259 . . . . 0.0 107.72 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 m -80.3 102.36 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-O 122.957 1.361 . . . . 0.0 112.034 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -114.08 24.77 11.71 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 113.214 -1.812 . . . . 0.0 106.431 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.456 ' OD1' HG21 ' B' ' 52' ' ' VAL . 8.4 t70 -84.98 145.1 27.9 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.551 -2.113 . . . . 0.0 108.57 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -113.66 15.44 18.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.456 HG21 ' OD1' ' B' ' 50' ' ' ASP . 18.7 m -111.85 162.67 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.853 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -164.94 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.78 147.91 39.13 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -118.0 85.54 2.36 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.781 2.032 . . . . 0.0 116.129 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -96.66 -178.81 4.38 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 122.872 0.469 . . . . 0.0 110.049 -174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -74.25 -27.53 60.8 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -89.47 158.95 17.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -119.7 163.85 16.8 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 121.551 -0.718 . . . . 0.0 111.964 -176.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 54.1 m80 70.39 -62.83 0.42 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.36 1.464 . . . . 0.0 110.539 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 . . . . . 0 C--N 1.313 -1.019 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 177.289 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.74 148.4 51.97 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.7 mtm -66.67 -24.11 66.23 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.02 -37.98 88.13 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -69.85 -37.16 76.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.52 HD13 ' HD1' ' B' ' 24' ' ' HIS . 3.4 tm? -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.824 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 8.2 mmmt -61.89 -37.6 85.19 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.396 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -63.06 -38.45 91.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.892 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -65.08 -39.99 94.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.111 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -49.26 84.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.976 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 16.6 mm-40 -60.28 -43.63 96.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.72 -53.76 54.6 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.975 0.91 . . . . 0.0 110.732 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.92 -40.06 83.44 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.676 0.79 . . . . 0.0 111.115 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.1 ttpt -56.92 -47.75 79.86 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 124.089 0.956 . . . . 0.0 108.788 175.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.25 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.64 -45.25 85.72 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.563 0.697 . . . . 0.0 109.358 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -45.77 73.38 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.313 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.6 mt -55.44 -40.55 58.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 123.506 0.504 . . . . 0.0 110.026 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 54.3 mt-30 -64.38 -39.3 93.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.57 -47.84 74.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' O ' HD12 ' A' ' 26' ' ' LEU . 76.9 t -58.49 -44.72 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.646 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -58.22 -49.5 76.84 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 123.648 0.779 . . . . 0.0 111.933 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 15.6 ptm180 -67.29 -17.93 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 49.6 t-80 -59.75 -31.16 69.39 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 120.567 0.222 . . . . 0.0 110.625 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.08 -12.16 0.51 Allowed Glycine 0 C--O 1.239 0.441 0 C-N-CA 119.771 -1.204 . . . . 0.0 113.753 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -52.71 149.26 6.3 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 31' ' ' VAL . 26.4 m-20 -88.24 179.75 6.3 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.494 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.476 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 80.2 m-70 -67.01 -46.0 75.83 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.438 -176.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.38 -37.42 83.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.233 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.42 -43.44 98.86 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.737 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 27' ' ' ASP . 57.4 t -65.48 -38.84 83.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.1 mt -62.92 -48.92 76.83 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.263 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.36 -49.04 77.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 79.3 t80 -57.35 -52.41 65.46 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.454 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.4 p -61.28 -43.0 99.59 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -74.47 -34.16 63.06 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 28.5 t70 -69.65 -35.68 75.4 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-O 122.147 0.975 . . . . 0.0 108.621 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.08 -46.04 45.46 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.069 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.84 -40.44 80.11 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.993 0.425 . . . . 0.0 110.669 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 16.8 pttm -67.47 -36.73 81.72 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.141 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 tp -68.64 -35.55 77.44 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.946 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' A' ' 46' ' ' MET . 64.0 mt -70.79 -57.36 7.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.525 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -58.03 -32.02 67.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.179 0.592 . . . . 0.0 111.524 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.19 -50.02 75.32 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.247 0.619 . . . . 0.0 110.53 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.24 -33.47 59.18 Favored 'General case' 0 CA--C 1.487 -1.472 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.2 mtp -64.55 -28.45 69.65 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t30 69.38 22.16 6.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 122.892 1.329 . . . . 0.0 110.395 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -122.16 160.06 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -123.71 16.4 9.49 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 121.699 0.762 . . . . 0.0 109.199 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.06 78.42 3.6 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.994 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -101.48 -7.13 23.12 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 122.742 1.258 . . . . 0.0 108.35 175.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.55 69.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.891 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -123.06 147.99 46.09 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.379 -1.282 . . . . 0.0 107.693 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.263 17.2 ttmm 59.83 74.65 0.44 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.802 1.287 . . . . 0.0 113.274 -175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -100.69 114.99 29.18 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 171.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.83 134.7 37.94 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -84.57 78.65 9.8 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -81.89 89.04 6.33 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.45 -1.25 . . . . 0.0 112.728 -172.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.82 -177.61 3.36 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -78.17 92.31 4.42 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.613 -0.835 . . . . 0.0 113.169 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -96.15 -23.67 16.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 170.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.8 m80 . . . . . 0 N--CA 1.431 -1.388 0 CA-C-N 112.908 -1.951 . . . . 0.0 105.893 172.095 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm . . . . . 0 C--O 1.243 0.718 0 CA-C-O 122.447 1.117 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.69 128.83 42.9 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.02 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt -74.37 -23.06 58.94 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.793 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.52 94.14 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 2.5 mp0 -75.36 -28.27 59.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.895 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.61 -47.89 79.56 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -66.73 -29.3 69.24 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.036 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.07 -33.69 72.24 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.08 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 60.0 mttp -69.29 -35.53 76.1 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 174.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.37 -48.7 87.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.558 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 15.2 mm-40 -57.09 -48.06 79.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.689 0.618 . . . . 0.0 109.576 175.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.7 -52.18 60.87 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.25 1.02 . . . . 0.0 111.308 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -39.53 72.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.797 -175.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.53 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -55.27 -49.94 70.78 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 108.635 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.435 ' HB3' ' HZ2' ' B' ' 15' ' ' LYS . 9.5 mtpm? -64.58 -36.42 84.18 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.326 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.79 -35.99 81.66 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 121.191 0.519 . . . . 0.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -43.63 54.62 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.767 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 14' ' ' LYS . 72.5 mt -57.8 -41.91 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -57.01 -41.19 78.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -52.66 52.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.066 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -63.04 -32.34 55.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.04 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.21 71.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.415 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.89 -6.58 48.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.421 . . . . 0.0 111.546 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.52 ' HD1' HD13 ' A' ' 6' ' ' LEU . 75.8 t60 -75.61 -20.95 58.2 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.55 38.85 0.11 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 64.7 mt -100.13 138.32 37.36 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.858 0.837 . . . . 0.0 111.661 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.528 ' O ' HG22 ' B' ' 31' ' ' VAL . 19.8 t70 -72.54 161.16 31.15 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.578 -1.646 . . . . 0.0 106.75 173.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.662 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 39.0 m80 -49.83 -36.96 28.58 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.592 0.558 . . . . 0.0 110.408 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.35 -47.67 85.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.694 0.797 . . . . 0.0 111.199 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -65.76 -39.28 90.89 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.942 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.528 HG22 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -64.34 -43.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.0 mt -62.95 -50.16 71.91 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.273 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.2 -42.32 96.68 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.366 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -63.81 -51.33 65.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.31 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.1 p -60.04 -42.06 93.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -68.02 -38.98 83.22 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.2 -43.34 61.5 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -57.52 -45.24 85.22 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.89 0.876 . . . . 0.0 111.04 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.88 -40.61 96.01 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.59 -30.49 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.703 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.1 tt -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' B' ' 46' ' ' MET . 68.2 mt -66.65 -45.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.622 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -57.07 -36.0 70.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 120.572 0.225 . . . . 0.0 111.352 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.493 ' HD2' ' CE2' ' B' ' 45' ' ' PHE . 37.0 ttmt -55.7 -48.94 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.911 0.884 . . . . 0.0 109.958 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.493 ' CE2' ' HD2' ' B' ' 44' ' ' LYS . 75.4 m-85 -86.79 -20.67 27.25 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 11.9 mmt -63.81 -25.17 68.06 Favored 'General case' 0 C--O 1.247 0.943 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.456 ' OD1' ' HE2' ' B' ' 49' ' ' LYS . 8.8 t30 66.06 76.79 0.31 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 t -92.26 100.01 10.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.619 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.456 ' HE2' ' OD1' ' B' ' 47' ' ' ASN . 54.5 mtmt -136.62 32.54 2.76 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.029 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 64.27 109.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.935 2.094 . . . . 0.0 112.198 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -122.21 22.54 10.13 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.832 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.26 138.55 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.515 0.674 . . . . 0.0 111.338 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.57 149.86 37.55 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' B' ' 54' ' ' LYS . 4.4 mmpt? -78.72 92.5 4.79 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 122.352 1.072 . . . . 0.0 111.845 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.64 119.42 36.18 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.782 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.95 135.39 47.47 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 106.681 -1.599 . . . . 0.0 106.681 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -105.68 146.32 29.91 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.669 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 57.5 m80 79.48 -46.47 0.36 Allowed 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 125.582 1.553 . . . . 0.0 109.025 -172.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 4.1 t60 71.07 89.0 0.1 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 125.786 1.635 . . . . 0.0 110.545 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -137.29 156.65 48.01 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.282 -2.33 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.514 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.83 122.15 6.16 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -57.86 -36.37 72.24 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -50.67 39.83 Favored Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.64 -44.29 93.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.571 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' B' ' 24' ' ' HIS . 2.9 tm? -58.17 -50.79 72.28 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 124.094 0.871 . . . . 0.0 110.59 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mmmp? -68.55 -33.7 74.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 123.588 0.555 . . . . 0.0 109.766 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.0 -50.11 75.32 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.055 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' B' ' 20' ' ' LEU . 73.4 mt -55.18 -48.1 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 123.905 0.753 . . . . 0.0 111.16 177.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 12.6 mm-40 -60.99 -49.75 76.16 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.336 0.397 . . . . 0.0 110.731 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.9 t30 -59.2 -46.16 89.17 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -66.0 -44.91 83.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.885 0.474 . . . . 0.0 110.552 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -55.03 -50.73 68.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.471 1.109 . . . . 0.0 108.256 175.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HA ' HD13 ' A' ' 18' ' ' ILE . 8.4 mtpm? -65.17 -34.15 77.7 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.434 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 43.6 mt-10 -61.71 -42.75 99.36 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -44.26 77.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.678 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 14' ' ' LYS . 73.8 mt -57.59 -40.97 78.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.944 0.402 . . . . 0.0 110.008 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.71 -33.45 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.995 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.78 -49.56 24.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.717 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 10.8 m -62.99 -31.24 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.334 175.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.3 -48.92 76.08 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -69.43 -18.73 63.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.695 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 56.3 t-80 -56.57 -40.99 76.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.0 46.52 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.401 -0.905 . . . . 0.0 112.682 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 23.2 mt -94.07 152.93 18.43 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.364 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.12 158.06 36.04 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 51.8 t-80 -59.0 -38.56 79.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 118.524 0.602 . . . . 0.0 110.04 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.75 -35.16 79.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.5 mmtp -63.81 -45.66 88.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.496 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.55 -42.68 81.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 124.026 0.828 . . . . 0.0 109.853 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 71.5 mt -66.97 -52.3 44.49 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -41.09 97.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.567 0.222 . . . . 0.0 111.377 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 77.1 t80 -61.59 -51.47 68.42 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.382 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -61.44 -41.29 96.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 46.6 mtp180 -63.72 -42.28 97.95 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 21.3 t0 -73.73 -44.63 55.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.988 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.594 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 6.7 tt -62.02 -38.28 88.07 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.97 -37.23 79.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.213 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -74.02 -34.26 64.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.566 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.27 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' A' ' 46' ' ' MET . 56.8 mt -68.37 -57.11 10.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.304 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -55.57 -34.35 64.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.133 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -57.84 -49.92 75.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.363 0.602 . . . . 0.0 109.823 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -76.42 -33.92 58.8 Favored 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.5 mtp -62.7 -32.08 73.11 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.476 0.485 . . . . 0.0 109.998 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 75.32 -3.04 2.68 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.046 1.338 . . . . 0.0 111.665 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.05 140.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -115.32 91.04 3.48 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.983 -2.599 . . . . 0.0 103.983 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.84 151.62 11.13 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.405 -1.725 . . . . 0.0 113.962 -167.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -70.21 44.15 0.07 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 127.438 2.295 . . . . 0.0 112.232 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.7 m -81.51 70.09 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 CA-C-O 122.403 1.097 . . . . 0.0 110.699 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -91.01 -157.69 0.51 Allowed 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.244 -1.344 . . . . 0.0 108.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.29 76.91 1.0 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.874 0.845 . . . . 0.0 110.892 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.17 142.53 27.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.38 57.94 3.88 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.32 1.057 . . . . 0.0 110.491 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.22 -17.33 19.92 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.234 -1.348 . . . . 0.0 107.752 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 60' ' ' HIS . 12.3 t-80 -101.57 129.85 47.75 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -87.67 -3.31 58.97 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 76.3 m-70 -99.46 149.29 23.35 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -78.61 149.92 32.83 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.092 0.472 . . . . 0.0 111.23 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 CA--C 1.51 -0.587 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -101.66 159.74 15.06 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.225 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.8 ptp -77.07 -22.22 53.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.84 -36.85 93.39 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.45 -44.86 81.62 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.06 -45.97 91.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.93 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.43 81.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.73 -37.49 87.54 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.606 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.8 -43.03 89.91 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.12 -49.09 84.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.591 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -57.23 -50.19 73.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.625 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.49 -45.14 89.31 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.547 0.529 . . . . 0.0 111.967 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.86 -43.57 83.27 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.93 0.395 . . . . 0.0 110.468 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -56.43 -48.86 76.13 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 124.295 1.038 . . . . 0.0 108.732 174.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.422 ' HA ' HD13 ' B' ' 18' ' ' ILE . 84.6 mttt -62.38 -38.85 91.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.539 0.736 . . . . 0.0 112.131 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.68 -44.59 90.26 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.407 0.622 . . . . 0.0 109.658 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -40.96 95.22 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.106 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -60.49 -40.64 84.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.5 mt-30 -58.66 -41.25 85.68 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.293 0.568 . . . . 0.0 109.975 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' A' ' 10' ' ' ILE . 4.8 mp -63.65 -52.67 59.7 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.363 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.452 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.7 m -66.36 -27.65 41.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.327 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.36 62.91 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 122.156 -0.34 . . . . 0.0 111.571 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -72.59 -14.2 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.088 0.47 . . . . 0.0 109.963 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.48 ' HB2' HD12 ' A' ' 6' ' ' LEU . 79.7 t60 -63.16 -38.15 90.05 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 172.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.08 49.65 0.08 OUTLIER Glycine 0 N--CA 1.428 -1.891 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.441 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.1 mt -88.91 152.35 21.78 Favored 'General case' 0 CA--C 1.486 -1.49 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.155 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.35 166.52 21.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.538 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.6 t-80 -61.32 -41.01 96.31 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.478 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 14.0 m-20 -68.91 -36.6 78.22 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.22 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.6 mmtm -57.19 -47.38 81.41 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.095 0.247 . . . . 0.0 110.552 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.39 -40.94 85.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.543 0.527 . . . . 0.0 110.233 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.0 mt -66.39 -53.28 37.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.0 mt -62.85 -42.93 99.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -62.76 -53.59 51.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 56.4 p -57.96 -39.14 77.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -75.34 -38.72 60.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 16.7 t70 -74.52 -32.19 62.4 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.448 ' O ' HG13 ' B' ' 42' ' ' ILE . 31.0 tp -62.26 -51.79 66.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.496 173.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.74 -45.41 78.03 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.352 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 73.6 tttt -58.22 -51.82 68.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 125.962 1.705 . . . . 0.0 111.161 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.14 -39.96 80.12 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.315 0.646 . . . . 0.0 110.505 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.693 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.2 mt -68.64 -54.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.163 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -54.09 -30.92 50.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.464 0.706 . . . . 0.0 112.333 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -49.1 76.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.562 0.696 . . . . 0.0 110.096 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.85 -27.44 57.82 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.693 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 50.3 mtp -81.1 -40.44 24.08 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.626 0.727 . . . . 0.0 110.467 -177.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -130.86 -74.85 0.53 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.953 -167.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 m -86.64 88.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 CA-C-O 122.523 1.154 . . . . 0.0 113.744 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -89.7 7.21 37.85 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 113.386 -1.734 . . . . 0.0 110.163 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.48 136.18 39.37 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.731 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -89.53 26.03 1.82 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-O 121.832 0.825 . . . . 0.0 109.69 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.53 95.63 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-O 122.472 1.13 . . . . 0.0 112.207 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -135.28 15.21 3.48 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.289 -1.323 . . . . 0.0 107.723 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -141.48 129.31 21.75 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.29 107.78 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.558 1.161 . . . . 0.0 113.007 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -117.5 108.53 15.62 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.933 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 59.1 m80 59.74 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.294 1.037 . . . . 0.0 112.714 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -114.38 -41.36 3.48 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 t60 68.92 -82.98 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.201 1.4 . . . . 0.0 111.068 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 55.72 -88.15 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.865 0.866 . . . . 0.0 112.071 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -100.91 136.37 40.87 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 78.6 t60 . . . . . 0 C--N 1.291 -1.956 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.795 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 CA--C 1.495 -1.166 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 68.07 179.64 0.23 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 123.839 0.712 . . . . 0.0 111.639 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.4 mtt -80.99 -18.61 46.28 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.578 -176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.71 -51.83 33.32 Favored Glycine 0 C--N 1.31 -0.869 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -70.07 -28.05 65.12 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.52 -46.22 76.93 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HG2' ' HE3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -64.66 -35.31 80.63 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 176.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -59.96 -38.15 81.64 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.974 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.11 -35.72 56.15 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.487 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.35 -50.29 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.03 -48.11 76.6 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.466 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.5 t-20 -56.23 -53.32 58.57 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.67 -35.19 74.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.9 ttpt -57.99 -49.19 77.69 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 124.424 1.089 . . . . 0.0 109.093 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HZ2' ' HB3' ' A' ' 15' ' ' LYS . 8.0 mtpm? -67.32 -34.81 78.15 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.75 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 12' ' ' ASN . 15.4 mm-40 -55.33 -44.31 75.76 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.745 0.783 . . . . 0.0 108.923 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -42.96 67.23 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.2 mt -59.93 -43.28 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -63.16 -33.24 75.05 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' B' ' 10' ' ' ILE . 4.7 mp -67.06 -54.74 18.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.778 175.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 8.8 m -61.93 -32.01 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.782 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.11 -48.65 79.2 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 122.944 0.498 . . . . 0.0 111.346 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.79 -18.64 64.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.5 t-80 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.328 0.392 . . . . 0.0 110.467 173.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.01 -9.29 0.44 Allowed Glycine 0 N--CA 1.436 -1.333 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.071 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -55.35 141.1 37.37 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' O ' HG22 ' A' ' 31' ' ' VAL . 4.1 m-20 -76.77 163.59 26.66 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.494 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 79.3 m80 -58.33 -39.4 79.35 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 123.627 0.58 . . . . 0.0 110.558 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.52 -35.22 79.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.444 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.76 -38.62 83.68 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.116 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 27' ' ' ASP . 94.7 t -63.92 -39.48 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.878 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.7 mt -60.09 -47.66 84.94 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 176.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.13 -46.74 82.76 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.6 -48.98 75.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.487 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 p -60.66 -40.26 91.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -74.16 -40.05 62.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.479 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.84 -39.09 90.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.891 0.853 . . . . 0.0 108.807 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.01 -43.24 83.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.711 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.1 -42.12 97.93 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.939 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.88 -40.71 95.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.236 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 39.3 tp -61.94 -41.63 98.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.666 ' O ' ' HG3' ' A' ' 46' ' ' MET . 67.6 mt -65.85 -56.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.871 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -52.87 -34.42 54.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.714 0.806 . . . . 0.0 112.361 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.91 -49.62 76.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.481 0.712 . . . . 0.0 110.578 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -80.96 -19.32 44.39 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 77.1 mtp -77.16 -18.23 57.99 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.024 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.0 t30 71.28 6.73 5.89 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.55 1.14 . . . . 0.0 110.342 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 46' ' ' MET . 33.5 m -82.66 122.4 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.7 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -105.82 80.18 1.51 Allowed 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 122.2 1.0 . . . . 0.0 109.472 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 64.13 -174.46 0.17 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.474 -2.148 . . . . 0.0 109.49 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -105.56 -4.23 21.43 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-O 122.179 0.99 . . . . 0.0 109.631 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.99 73.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.217 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 179.82 149.55 0.32 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.69 86.73 6.06 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.95 103.19 4.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.312 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 65.07 -77.84 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.308 1.043 . . . . 0.0 111.648 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -165.94 132.4 2.62 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -122.38 147.65 46.03 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -68.1 144.75 54.91 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.305 0.574 . . . . 0.0 112.454 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -93.86 -52.0 4.63 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -149.93 121.17 7.81 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -178.792 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 CA--C 1.5 -0.972 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.58 96.59 10.76 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.078 0.466 . . . . 0.0 110.566 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.3 mtt -108.33 -1.23 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.89 -50.58 4.57 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -64.0 -27.23 68.98 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.898 0.38 . . . . 0.0 110.19 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.21 -48.36 82.04 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.155 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -33.56 71.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -61.22 -44.82 96.67 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.02 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -43.84 91.45 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.107 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 20' ' ' LEU . 66.9 mt -48.89 -54.22 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.072 0.549 . . . . 0.0 112.196 173.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.36 -44.64 92.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.191 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.96 -47.11 86.29 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.247 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -70.97 -40.51 71.89 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 123.827 0.851 . . . . 0.0 110.539 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.551 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -52.55 -51.6 58.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.702 1.201 . . . . 0.0 108.738 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.418 ' HA ' HD13 ' B' ' 18' ' ' ILE . 58.8 mtpt -66.22 -34.78 78.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.661 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.88 -42.08 98.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.459 0.647 . . . . 0.0 109.776 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.401 ' C ' HD12 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -70.42 -42.86 71.03 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.298 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.66 -42.24 59.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 109.665 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.24 -24.81 64.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.321 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.47 -47.09 18.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.4 t -61.66 -36.29 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 121.302 0.572 . . . . 0.0 109.724 174.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.97 -48.27 79.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.199 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -72.46 -4.88 32.99 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.873 0.368 . . . . 0.0 111.864 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.3 t-80 -68.63 -27.01 65.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.966 174.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.07 2.26 1.21 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.014 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -61.23 139.25 58.18 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.491 ' O ' HG22 ' B' ' 31' ' ' VAL . 16.3 m-20 -74.03 171.69 13.03 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.91 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.467 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 14.9 p-80 -63.06 -42.68 99.75 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.071 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 20.5 m-20 -60.63 -39.42 88.16 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.584 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.484 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 33.9 mmtm -56.24 -47.45 78.47 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.551 0.532 . . . . 0.0 110.017 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 27' ' ' ASP . 36.1 t -63.02 -42.22 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.79 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.8 mt -63.4 -46.09 88.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.8 mt -66.12 -45.54 80.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.494 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.412 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 89.0 t80 -63.6 -50.31 69.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.245 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 49.6 p -60.46 -36.97 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.63 -37.69 59.52 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.53 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.03 -30.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.837 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.82 -42.91 90.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.933 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.91 -41.42 99.45 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.97 -48.41 80.05 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.208 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 29.1 tp -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.379 0.671 . . . . 0.0 111.806 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.11 -48.66 84.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.997 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.26 -28.94 70.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.7 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.433 ' O ' ' HB ' ' B' ' 48' ' ' VAL . 37.7 ttmt -60.04 -27.51 66.99 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.464 1.106 . . . . 0.0 110.293 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD23 ' A' ' 26' ' ' LEU . 44.3 m-85 -111.34 -26.16 9.28 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.09 -29.9 24.49 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.362 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -123.28 -32.81 3.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 122.048 0.927 . . . . 0.0 111.751 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' B' ' 44' ' ' LYS . 49.5 t -88.25 108.59 18.83 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.477 0 CA-C-O 122.918 1.342 . . . . 0.0 112.451 -170.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -166.29 93.86 0.52 Allowed 'General case' 1 N--CA 1.376 -4.163 0 CA-C-N 111.779 -2.464 . . . . 0.0 105.043 169.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -33.46 107.43 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.412 1.485 . . . . 0.0 114.132 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -87.84 1.18 54.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.524 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 m -85.53 117.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.678 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 62.6 m80 65.87 15.63 10.14 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 111.013 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -78.44 145.19 35.21 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.767 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -75.37 101.28 4.7 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -110.1 101.62 10.39 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -83.71 114.18 21.4 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.205 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -118.58 85.02 2.28 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -92.42 -21.77 20.01 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.738 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -164.92 -167.53 1.24 Allowed 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -80.88 98.75 8.0 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 . . . . . 0 C--N 1.309 -1.167 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.281 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' OE1' ' HG3' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -63.17 118.8 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.6 ptm -76.61 -23.42 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -171.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.11 -50.82 26.18 Favored Glycine 0 CA--C 1.502 -0.768 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.579 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 20.1 mt-30 -71.11 -17.91 62.55 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.991 0.424 . . . . 0.0 111.019 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.17 -44.66 45.38 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -31.32 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.579 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 21.1 t-20 -58.39 -40.52 82.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.632 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 43.5 mmtm -76.0 -34.2 59.72 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.14 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.44 -51.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 18.9 mm-40 -58.32 -48.74 79.57 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.714 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.47 -52.65 62.94 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.077 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 2.0 tppp? -69.79 -35.91 75.26 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.97 -46.74 84.67 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.007 0.923 . . . . 0.0 109.256 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HB3' ' HZ1' ' A' ' 15' ' ' LYS . 8.8 mtpm? -68.46 -35.67 77.91 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 mt-10 -57.17 -43.43 82.58 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -44.54 76.31 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.694 179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.92 -42.56 86.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.57 -33.4 73.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.354 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 91.6 mt -67.85 -52.07 41.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.424 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.5 m -62.64 -32.01 54.03 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.138 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.927 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.69 63.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.881 0.472 . . . . 0.0 111.449 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 12.7 ptm180 -61.94 -18.5 60.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.953 0.901 . . . . 0.0 111.607 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.618 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.6 t-80 -54.36 -39.27 66.98 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 172.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.65 13.21 0.38 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.948 -1.12 . . . . 0.0 114.22 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -62.67 149.84 42.53 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' HG21 ' A' ' 31' ' ' VAL . 4.6 m-20 -69.43 157.44 37.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -62.35 -37.49 85.84 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.071 0.462 . . . . 0.0 110.754 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.7 t70 -62.9 -39.54 94.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.503 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -62.39 -41.2 98.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.711 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 27' ' ' ASP . 46.9 t -63.14 -41.66 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 89.8 mt -64.89 -47.82 76.45 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.715 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 89.2 mt -60.38 -47.29 86.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.817 0.341 . . . . 0.0 110.804 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.14 -49.94 73.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.219 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.2 p -60.23 -41.83 93.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 15.0 ptm180 -73.95 -35.2 64.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.073 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.13 -33.55 63.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.934 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.923 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.29 -46.81 88.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.24 -49.79 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.324 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 54.3 tp -58.26 -47.16 84.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 123.375 0.67 . . . . 0.0 111.413 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.699 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.93 -55.32 22.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -54.7 -33.26 60.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.576 0.35 . . . . 0.0 111.861 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 38.6 ttmt -57.99 -42.66 85.61 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.03 0.932 . . . . 0.0 110.086 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.53 -31.1 22.9 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.107 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.699 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 48.2 mtp -74.17 -38.92 63.54 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 62.73 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.483 -174.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.2 169.42 21.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -120.98 0.72 10.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.871 -1.132 . . . . 0.0 113.708 -172.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.89 101.87 8.38 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 122.229 1.014 . . . . 0.0 111.063 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -137.77 21.22 2.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.606 -1.179 . . . . 0.0 107.873 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.2 149.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.326 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -84.2 -34.89 23.84 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -98.14 110.38 22.97 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.264 -1.335 . . . . 0.0 107.429 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.6 145.2 45.61 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.946 0.403 . . . . 0.0 111.637 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -106.93 23.78 13.83 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.058 0.456 . . . . 0.0 111.708 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -95.41 149.47 21.35 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 70.91 83.24 0.15 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.462 1.101 . . . . 0.0 110.159 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -147.25 13.61 1.1 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.89 0.852 . . . . 0.0 109.579 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -79.13 95.93 5.71 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.962 0.887 . . . . 0.0 111.034 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -96.22 24.63 5.53 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.319 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.308 -1.204 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.065 -179.157 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 CA--C 1.499 -0.998 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.53 64.38 4.98 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 122.387 1.089 . . . . 0.0 109.97 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -65.35 -33.92 77.11 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 112.989 -1.914 . . . . 0.0 112.434 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.35 -48.04 66.59 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.83 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -71.57 -36.36 70.89 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.055 0.455 . . . . 0.0 110.909 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.09 -46.43 84.27 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.939 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -28.02 66.95 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -63.68 -43.49 96.5 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.85 -39.7 93.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.966 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.79 -51.94 66.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.518 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -54.19 -48.39 71.03 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.58 0.55 . . . . 0.0 110.368 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -61.45 -49.39 77.0 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.457 ' HE2' ' HD2' ' A' ' 13' ' ' LYS . 1.4 tpmt? -64.99 -41.34 95.49 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.7 ttpt -53.7 -53.15 56.13 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 124.975 1.31 . . . . 0.0 109.048 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.01 -38.06 89.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.293 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 45.5 mt-10 -61.38 -41.19 96.71 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 110.708 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.405 ' O ' HD21 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -67.28 -45.42 76.63 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 178.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.7 mt -57.18 -42.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 O-C-N 123.569 0.543 . . . . 0.0 109.705 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.52 -32.01 69.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.885 0.474 . . . . 0.0 111.563 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 92.1 mt -79.09 -50.7 10.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.823 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.19 -27.95 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 C-N-CA 120.089 -0.644 . . . . 0.0 112.018 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -64.74 -46.3 82.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.995 0.426 . . . . 0.0 111.104 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' B' ' 20' ' ' LEU . 19.7 ptp180 -73.84 -11.51 60.39 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.555 -177.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.95 -33.31 75.52 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.661 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.22 -18.88 0.23 Allowed Glycine 0 N--CA 1.434 -1.485 0 C-N-CA 119.4 -1.381 . . . . 0.0 112.69 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.4 mp -50.16 124.37 10.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.562 ' O ' HG22 ' B' ' 31' ' ' VAL . 17.0 t70 -73.76 168.59 19.08 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.058 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 61.1 m80 -57.53 -32.7 67.33 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.71 -36.05 77.96 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 34.4 mmtm -67.21 -44.71 78.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 114.418 -1.264 . . . . 0.0 109.963 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 27' ' ' ASP . 27.3 t -62.65 -40.8 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.631 0.582 . . . . 0.0 110.032 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.0 mt -62.37 -57.06 12.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.14 -42.63 95.26 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.022 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -63.85 -49.51 72.51 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -62.12 -36.51 81.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.769 0.319 . . . . 0.0 111.441 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.5 mtt180 -63.5 -52.37 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.679 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.05 -32.44 63.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.174 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.93 -42.91 97.22 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.28 -39.69 95.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -61.46 -48.65 80.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.173 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -57.81 -47.03 83.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.527 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.8 mt -61.52 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.061 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -53.29 -35.94 60.63 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 21.0 ttmm -57.19 -55.53 33.5 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.475 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.5 m-85 -78.3 -21.35 49.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 17.6 mtp -80.33 2.11 26.09 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.368 177.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 60.89 30.49 19.67 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.694 1.197 . . . . 0.0 111.349 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 39.1 t -84.23 84.93 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.742 0 CA-C-O 122.53 1.157 . . . . 0.0 108.118 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -136.41 8.15 3.11 Favored 'General case' 0 C--N 1.255 -3.541 0 CA-C-N 112.895 -1.957 . . . . 0.0 107.998 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -127.84 101.19 6.24 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 114.632 -1.167 . . . . 0.0 108.154 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -119.34 15.68 13.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.911 0.862 . . . . 0.0 109.135 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.14 176.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.547 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -75.87 131.34 39.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -72.55 106.44 4.61 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.541 0.686 . . . . 0.0 112.414 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -116.44 -177.14 3.11 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.82 103.6 9.83 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.212 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -76.79 -27.92 55.44 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.81 87.69 5.94 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 170.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -82.75 82.54 8.04 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 122.163 0.982 . . . . 0.0 111.412 -173.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 t60 179.12 135.6 0.09 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -61.56 -60.19 4.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 118.543 0.611 . . . . 0.0 111.461 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 C--N 1.309 -1.191 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.582 176.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -76.34 119.02 19.65 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.14 1.376 . . . . 0.0 108.762 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptm -87.41 -26.67 23.18 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.457 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.01 -45.25 57.81 Favored Glycine 0 C--N 1.318 -0.438 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.5 -31.97 73.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.165 0.507 . . . . 0.0 109.988 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.46 -44.02 88.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -63.56 -32.44 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.049 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.31 -43.36 91.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -62.33 -45.27 93.99 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.552 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' B' ' 20' ' ' LEU . 62.0 mt -55.62 -48.33 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 122.831 0.452 . . . . 0.0 111.749 174.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -57.26 -48.31 79.18 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 120.723 0.297 . . . . 0.0 110.563 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.86 -45.48 94.38 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.495 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -64.48 -45.16 88.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.109 0.481 . . . . 0.0 110.851 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' HG13 ' A' ' 18' ' ' ILE . 39.1 ttpt -56.3 -49.01 75.5 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 124.518 1.127 . . . . 0.0 108.561 176.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 41.6 mttm -63.54 -42.04 98.43 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.926 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD21 ' A' ' 20' ' ' LEU . 39.1 mt-10 -55.33 -44.72 76.16 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -65.96 -45.7 80.79 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.049 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 14' ' ' LYS . 69.4 mt -56.64 -39.09 60.8 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.715 0 O-C-N 123.694 0.621 . . . . 0.0 109.458 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -56.66 -43.98 80.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.189 0.306 . . . . 0.0 111.609 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD21 ' O ' ' A' ' 16' ' ' GLU . 1.8 mm? -67.22 -52.09 45.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.421 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.3 p -66.93 -32.16 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 119.771 -0.771 . . . . 0.0 113.023 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.31 -48.56 81.21 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 122.168 -0.333 . . . . 0.0 110.932 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -70.49 -19.33 62.94 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.535 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.9 t-80 -51.36 -56.01 15.4 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.591 0.557 . . . . 0.0 110.02 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.63 16.48 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.934 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -77.42 145.3 37.25 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.573 0.701 . . . . 0.0 111.887 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 31' ' ' VAL . 10.9 m-20 -83.54 175.16 9.98 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 52.5 p-80 -59.73 -44.18 93.88 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.418 0.627 . . . . 0.0 109.681 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.9 p-10 -63.86 -35.34 80.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.726 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -68.21 -41.11 81.81 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.419 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 27' ' ' ASP . 60.5 t -64.1 -38.85 83.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mt -66.82 -47.96 70.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.291 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 95.4 mt -62.16 -44.05 97.48 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.33 -54.81 35.15 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -59.01 -37.81 77.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 6.1 ptm180 -74.14 -37.86 63.92 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.29 -40.19 62.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.021 1.328 . . . . 0.0 110.383 174.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -41.39 87.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.771 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 55.6 mtmt -63.32 -42.39 99.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.182 178.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.55 -44.15 97.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.221 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.598 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.09 -54.34 34.65 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.411 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.19 -29.61 61.11 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.2 0.6 . . . . 0.0 111.645 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -65.68 -45.34 83.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.87 -32.73 34.84 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.578 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 39.1 mtp -68.51 -19.95 64.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.199 0.523 . . . . 0.0 109.889 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t30 74.97 66.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.693 1.597 . . . . 0.0 111.146 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.54 117.88 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.532 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -92.47 3.08 56.19 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.248 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.08 107.75 18.9 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.396 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -105.69 15.75 26.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.22 145.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.984 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -126.51 170.8 11.64 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -89.83 118.59 29.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' HA ' ' NE2' ' A' ' 58' ' ' HIS . 4.4 pp -83.41 133.46 34.93 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -118.99 -73.44 0.64 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.99 92.19 2.1 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.605 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 55.6 m-70 -104.68 102.6 12.18 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.098 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -158.24 -45.45 0.06 Allowed 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.497 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -73.51 -33.61 64.86 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.524 1.154 . . . . 0.0 108.159 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -148.55 139.74 23.24 Favored 'General case' 0 N--CA 1.419 -1.985 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.525 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--N 1.283 -2.297 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.67 131.83 52.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.428 0.632 . . . . 0.0 112.692 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 75.2 mtm -88.81 -15.72 33.88 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.56 96.53 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -69.82 -37.91 76.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.144 0.497 . . . . 0.0 110.921 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.99 -45.32 77.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -32.74 73.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.11 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -64.76 -39.57 93.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.855 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.03 -36.02 79.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.535 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.33 -52.01 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.73 -55.08 29.42 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.991 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -67.45 -39.17 85.35 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.455 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.528 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.1 ttpt -55.86 -50.82 69.56 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 124.579 1.152 . . . . 0.0 108.427 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -60.25 -40.39 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.123 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.9 -41.07 90.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.178 0.514 . . . . 0.0 109.914 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.42 -43.33 81.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.761 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 14' ' ' LYS . 73.6 mt -59.35 -39.91 80.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -59.43 -40.59 87.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.463 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.1 mp -64.73 -55.4 20.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.392 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 5.5 m -62.13 -27.54 42.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.667 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.49 -47.09 65.0 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -73.09 -10.55 59.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.101 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 50.9 t-80 -62.86 -39.5 94.6 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.67 36.9 0.04 OUTLIER Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.881 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.3 mt -88.13 152.01 22.3 Favored 'General case' 0 CA--C 1.487 -1.445 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.122 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.26 162.55 26.46 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 173.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.553 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 13.6 t-80 -62.17 -38.53 89.39 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 118.932 0.787 . . . . 0.0 110.582 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.63 -28.91 68.85 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.23 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 30.8 mmtp -66.77 -45.63 77.9 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.23 -43.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.744 0.653 . . . . 0.0 109.58 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 74.4 mt -61.81 -54.6 39.97 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.081 0.552 . . . . 0.0 111.15 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -39.2 93.51 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.345 0.403 . . . . 0.0 111.526 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.68 -52.99 38.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.108 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.1 p -58.04 -37.99 75.41 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 15.9 ptm180 -73.91 -44.41 55.23 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.614 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.38 -30.21 65.86 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.795 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.452 ' O ' HG13 ' B' ' 42' ' ' ILE . 41.5 tp -64.65 -48.43 74.84 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 123.328 0.651 . . . . 0.0 110.2 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.92 -43.23 91.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.914 0.864 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -65.28 -40.57 94.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 C-N-CA 125.399 1.48 . . . . 0.0 111.895 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 2.3 tm? -62.14 -41.72 98.54 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.683 ' O ' ' HG3' ' B' ' 46' ' ' MET . 61.6 mt -68.97 -49.44 63.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.605 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -53.72 -32.41 51.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.203 0.601 . . . . 0.0 112.276 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' B' ' 48' ' ' VAL . 35.4 ttmt -57.54 -40.65 79.32 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 122.019 0.914 . . . . 0.0 109.759 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -90.47 -22.05 21.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.084 -0.962 . . . . 0.0 113.424 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.683 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 53.8 mtp -84.93 -40.25 17.22 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.159 0.504 . . . . 0.0 110.856 -177.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -147.86 -55.26 0.22 Allowed 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 119.157 -1.017 . . . . 0.0 113.513 -166.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' B' ' 44' ' ' LYS . 17.2 t -85.73 84.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.611 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.519 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.9 82.75 7.43 Favored 'General case' 0 C--N 1.263 -3.161 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.676 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 51.87 89.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.781 1.233 . . . . 0.0 112.101 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -106.89 9.58 30.8 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.698 -0.801 . . . . 0.0 111.434 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 m -76.5 81.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.605 0.717 . . . . 0.0 112.29 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -87.12 -24.97 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -97.08 136.24 37.91 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.03 157.75 35.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.377 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -82.19 91.78 6.78 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -153.37 -173.27 4.52 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.819 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -89.07 88.81 7.71 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.928 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -152.16 104.3 2.95 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 172.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -116.71 142.52 46.8 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -77.85 -26.51 49.42 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 N--CA 1.431 -1.387 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.096 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtm . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.93 139.82 56.19 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 125.612 1.565 . . . . 0.0 110.067 -177.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ptm -65.98 -21.24 66.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.345 -178.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.52 99.69 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.97 -33.62 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.776 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.13 -44.51 95.37 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -37.32 86.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.87 178.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.99 -40.96 99.34 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.37 -39.81 92.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.556 177.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.09 -50.52 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.86 -52.47 64.98 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.047 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -66.56 -40.29 88.95 Favored 'General case' 0 C--N 1.312 -1.047 0 O-C-N 123.721 0.638 . . . . 0.0 111.607 -174.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -67.82 -42.47 81.43 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.147 0.499 . . . . 0.0 110.153 -177.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.6 ttpt -60.54 -45.25 94.57 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.118 0.967 . . . . 0.0 109.212 174.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 38.2 mttp -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 122.852 0.461 . . . . 0.0 111.684 178.292 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.71 -39.84 74.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.729 174.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.95 -44.71 72.46 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.0 mt -57.26 -40.03 71.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 94.0 mt-30 -65.19 -33.12 75.26 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.002 178.326 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.06 -49.92 39.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.292 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.6 t -61.05 -33.27 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-O 121.59 0.71 . . . . 0.0 110.215 175.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.36 69.54 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.004 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -67.19 -19.52 65.57 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.728 0.299 . . . . 0.0 111.517 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.8 t-80 -57.81 -29.53 64.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.04 174.168 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.75 39.98 0.25 Allowed Glycine 0 N--CA 1.431 -1.649 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.29 177.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.8 mt -94.95 147.41 23.41 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.979 177.074 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.478 ' O ' HG21 ' A' ' 31' ' ' VAL . 8.8 m-20 -72.87 168.01 19.79 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 175.287 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.608 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.4 t-80 -58.16 -42.89 86.97 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.261 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.18 -39.95 94.41 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.106 178.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.0 mmtm -63.93 -47.51 80.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 27' ' ' ASP . 58.7 t -58.98 -42.43 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.391 0.432 . . . . 0.0 109.966 178.515 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 72.6 mt -65.69 -46.95 77.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.31 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.99 -46.63 89.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.33 0.394 . . . . 0.0 110.295 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.77 -53.25 58.52 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.108 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -59.79 -41.64 91.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -72.34 -36.97 68.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.646 -178.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.63 -40.83 72.88 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -61.9 -47.11 86.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.722 176.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.31 -49.57 75.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.41 -31.74 72.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 52.3 tp -65.79 -43.79 87.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.409 0.623 . . . . 0.0 109.54 175.824 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' A' ' 46' ' ' MET . 76.2 mt -67.4 -47.17 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -33.37 70.68 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.411 0.444 . . . . 0.0 110.859 178.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.4 ttmm -57.49 -49.04 77.58 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.443 0.64 . . . . 0.0 109.672 176.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' A' ' 47' ' ' ASN . 66.7 m-85 -75.89 -19.26 58.97 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.63 179.407 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 53.1 mtp -78.72 9.41 4.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.366 0.603 . . . . 0.0 110.079 175.323 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 45' ' ' PHE . 4.3 t-20 83.11 14.63 0.37 Allowed 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 127.137 2.175 . . . . 0.0 112.257 173.154 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t -81.13 108.63 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 172.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -95.39 94.01 7.58 Favored 'General case' 0 C--N 1.272 -2.804 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -170.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -101.84 76.19 1.61 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 166.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -99.72 23.67 9.31 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.214 1.006 . . . . 0.0 110.963 -173.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.3 m -98.4 7.88 8.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.394 174.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -87.05 101.66 13.67 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.08 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 69.23 80.92 0.18 Allowed 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.374 1.046 . . . . 0.0 110.158 -171.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' H ' HD22 ' A' ' 55' ' ' LEU . 1.7 pt? -99.03 177.52 5.21 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.336 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 72.34 104.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.589 1.181 . . . . 0.0 108.82 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -100.43 -4.59 28.63 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.345 -173.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -78.55 127.91 32.8 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -83.84 85.43 7.3 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 122.057 0.932 . . . . 0.0 111.515 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -99.58 -61.8 1.32 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.677 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -99.87 -30.62 11.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.769 0.795 . . . . 0.0 109.06 179.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 . . . . . 0 C--N 1.302 -1.493 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 177.665 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -91.43 148.95 21.95 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.405 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -123.74 -3.66 8.21 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.124 175.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.09 -45.75 24.68 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.042 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 16.3 mm100 -82.65 -30.8 29.08 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.35 -47.41 75.79 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.119 174.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.4 mmmt -61.29 -39.25 89.74 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.47 176.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.4 -42.12 98.77 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.453 0.471 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 85.1 mttt -61.18 -45.23 95.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.499 177.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.25 -50.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 30.1 mm-40 -55.96 -51.93 65.94 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.7 0.625 . . . . 0.0 110.512 178.094 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -59.45 -46.96 87.27 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -68.01 -38.66 82.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.883 0.373 . . . . 0.0 110.155 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.53 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -56.43 -48.84 76.17 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 108.963 176.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 60.1 mtpt -64.98 -39.72 93.89 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.949 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.513 ' O ' HD21 ' B' ' 20' ' ' LEU . 47.4 mt-10 -58.59 -40.59 83.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.964 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.3 mt -53.76 -40.84 45.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 O-C-N 123.958 0.786 . . . . 0.0 109.115 179.273 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -56.92 -42.05 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.013 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.513 HD21 ' O ' ' B' ' 16' ' ' GLU . 2.0 mm? -69.87 -48.68 57.85 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.721 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 17.0 t -62.57 -35.19 69.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-O 121.329 0.585 . . . . 0.0 110.942 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -45.12 76.35 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.709 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -75.76 -5.29 45.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 0.0 111.038 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 33.4 t-80 -68.58 -38.95 81.12 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.13 39.15 0.03 OUTLIER Glycine 0 N--CA 1.433 -1.533 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.872 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' B' ' 30' ' ' LYS . 63.3 mt -96.38 118.44 32.91 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-O 121.869 0.843 . . . . 0.0 110.304 176.044 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.73 67.03 5.39 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.773 -177.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.248 1.819 . . . . 0.0 115.221 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.24 -34.61 77.82 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.52 ' HB3' HD23 ' B' ' 26' ' ' LEU . 43.3 mmtm -61.8 -42.36 98.92 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.626 174.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.25 -45.45 98.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 85.0 mt -58.65 -57.36 13.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.653 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.7 -39.67 85.36 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 123.318 0.386 . . . . 0.0 111.567 -178.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 57.2 t80 -60.9 -53.39 57.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.706 177.094 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -36.19 76.57 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.0 mtt180 -66.89 -45.62 77.46 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 122.722 0.409 . . . . 0.0 111.344 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.5 t70 -74.45 -38.44 62.98 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.034 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.48 -45.49 93.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 175.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.63 -40.7 88.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.502 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 21.3 pttp -76.03 -33.7 59.65 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.669 -177.472 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.75 -38.32 90.68 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.178 0.513 . . . . 0.0 110.131 177.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.615 ' O ' ' HG3' ' B' ' 46' ' ' MET . 64.6 mt -71.2 -59.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.003 -178.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.06 -31.73 61.36 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 123.266 0.626 . . . . 0.0 111.776 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.15 -56.14 25.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.247 0.619 . . . . 0.0 110.081 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.31 -26.76 64.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.79 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 61.6 mtp -71.53 -42.12 68.34 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 t30 64.43 30.3 13.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 109.379 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 16.2 m -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 122.576 1.179 . . . . 0.0 111.443 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -110.34 90.63 3.37 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.426 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' B' ' 52' ' ' VAL . 20.2 t70 -77.65 171.27 15.18 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.703 -177.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -69.93 16.76 0.06 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.415 1.486 . . . . 0.0 112.156 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.499 ' H ' ' C ' ' B' ' 50' ' ' ASP . 24.0 m -56.93 122.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 123.915 0.886 . . . . 0.0 110.295 -178.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -83.68 148.11 27.28 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.268 -176.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -88.26 146.66 25.21 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 170.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -59.43 115.34 3.2 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 123.668 0.605 . . . . 0.0 111.126 -176.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -43.2 -30.33 0.47 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.287 2.235 . . . . 0.0 115.079 -174.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . 0.271 10.3 p-80 62.31 173.1 0.13 Allowed 'General case' 0 C--O 1.244 0.812 0 C-N-CA 125.561 1.544 . . . . 0.0 111.624 -174.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 27.9 t60 70.56 116.37 0.04 OUTLIER 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.883 0.849 . . . . 0.0 109.673 -174.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -91.19 119.47 31.31 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-O 121.531 0.681 . . . . 0.0 110.492 -176.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -87.8 88.25 7.6 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.573 -178.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -92.0 3.59 54.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.243 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.384 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 CA--C 1.496 -1.12 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' HG3' ' H ' ' A' ' 5' ' ' GLN . 8.2 tp10 -145.07 111.0 5.46 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptm -86.55 -14.97 41.36 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -36.39 92.39 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.534 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 4.1 pt20 -75.86 -36.34 59.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.938 0.399 . . . . 0.0 110.335 -178.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.01 -45.53 70.3 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 5.5 mmmt -65.49 -34.54 78.5 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.827 176.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.7 -38.82 90.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.5 mttm -62.65 -47.11 85.14 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.319 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 20' ' ' LEU . 81.3 mt -55.1 -49.1 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.171 175.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 13.0 mm-40 -57.35 -52.19 66.37 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 123.226 0.329 . . . . 0.0 110.516 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.92 -43.96 91.21 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.836 0.71 . . . . 0.0 110.984 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.25 -48.25 68.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.095 -178.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.5 ttpt -56.91 -44.4 82.34 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 124.513 1.125 . . . . 0.0 109.532 176.327 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 29.7 mtpp -64.93 -38.28 90.43 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.717 177.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.2 mt-10 -56.8 -41.32 77.54 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.346 0.594 . . . . 0.0 109.444 175.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -71.0 -44.53 65.72 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.419 -179.034 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.4 mt -58.91 -42.42 85.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 24.2 mt-30 -64.69 -32.31 73.93 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.775 177.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 89.8 mt -67.34 -53.32 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.532 -0.27 . . . . 0.0 111.443 176.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.0 m -62.69 -31.7 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.356 176.3 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.75 81.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.493 -179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.8 ptp180 -67.15 -18.93 65.5 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.614 0.571 . . . . 0.0 111.115 -178.073 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 41.9 t-80 -60.61 -28.93 68.9 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.807 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.33 41.25 0.2 Allowed Glycine 0 N--CA 1.427 -1.933 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.617 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 26.7 mt -91.04 151.12 21.16 Favored 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.618 175.216 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' HG21 ' A' ' 31' ' ' VAL . 28.9 m-20 -73.07 164.81 26.15 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 172.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.628 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 38.6 t-80 -60.54 -37.24 80.56 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 176.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.54 -45.81 77.18 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.899 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.5 mmtm -68.61 -39.99 80.61 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.957 -177.259 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 27' ' ' ASP . 48.7 t -61.86 -42.04 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.6 mt -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.95 -45.35 90.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.04 -51.53 63.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.084 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -64.13 -35.25 80.14 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 1.7 ptm180 -72.34 -43.37 64.18 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.203 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.78 -44.62 80.85 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.7 -45.05 82.05 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.954 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.86 -38.72 86.89 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.168 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 1.3 mptm? -66.79 -39.5 87.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.803 175.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.78 -45.81 88.96 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.14 0.495 . . . . 0.0 109.799 175.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 46' ' ' MET . 60.1 mt -64.41 -46.89 91.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.736 177.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -54.63 -39.29 67.81 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 120.648 0.261 . . . . 0.0 110.853 178.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.87 -48.91 78.45 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.253 1.021 . . . . 0.0 111.052 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -81.09 -30.31 34.71 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.34 -178.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 98.8 mmm -73.72 -14.26 61.11 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.339 0.59 . . . . 0.0 109.44 177.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.72 16.19 6.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.808 1.643 . . . . 0.0 110.146 176.108 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 m -92.63 117.88 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-O 122.315 1.055 . . . . 0.0 110.94 -179.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -107.06 25.4 11.41 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.818 -178.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.661 ' OD2' HG23 ' A' ' 52' ' ' VAL . 10.8 t70 68.62 137.49 0.03 OUTLIER 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.102 175.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HZ2' ' HB3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -99.89 11.61 38.84 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -173.043 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.661 HG23 ' OD2' ' A' ' 50' ' ' ASP . 7.2 m -90.79 173.71 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 174.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -57.34 132.38 52.91 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.59 153.34 22.47 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.496 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.49 132.29 53.3 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 123.944 0.898 . . . . 0.0 110.483 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -63.28 145.79 54.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.519 -178.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -93.27 -29.82 15.48 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 174.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -125.95 109.27 12.27 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -80.8 131.56 35.42 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -85.35 29.08 0.69 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.253 0.549 . . . . 0.0 111.755 -177.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -153.74 141.38 19.93 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.331 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptp . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -93.58 123.81 37.15 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.559 177.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -25.61 67.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -175.159 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.79 -40.8 93.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.452 177.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.13 -40.33 71.48 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.83 -48.38 82.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.823 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.63 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.329 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -70.74 -38.33 73.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.807 177.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' A' ' 17' ' ' LEU . 45.9 mt -59.75 -45.35 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.419 177.204 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -52.78 -55.43 22.95 Favored 'General case' 0 CA--C 1.507 -0.712 0 O-C-N 123.964 0.79 . . . . 0.0 111.07 175.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.9 -46.76 78.3 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.924 0.765 . . . . 0.0 111.696 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -65.21 -44.43 88.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.133 0.492 . . . . 0.0 110.991 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.9 ttpt -55.73 -48.04 75.89 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 124.576 1.15 . . . . 0.0 108.963 176.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.502 -1.226 . . . . 0.0 112.154 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.2 -44.24 75.14 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.24 -45.26 85.32 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.8 mt -58.65 -44.39 89.59 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 -178.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -59.38 -35.76 74.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.41 . . . . 0.0 110.611 177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 10' ' ' ILE . 6.1 mp -67.12 -54.33 22.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.772 176.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.56 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.4 m -65.74 -27.02 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 CA-C-O 121.335 0.588 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.51 60.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.22 -15.79 63.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.977 0.418 . . . . 0.0 111.26 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 18.8 t-80 -57.29 -32.94 67.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.454 171.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.54 40.41 0.19 Allowed Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.374 178.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 20.9 mt -80.02 145.43 32.52 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.601 0.715 . . . . 0.0 112.296 177.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.03 162.91 25.86 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 172.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.447 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 41.8 m80 -57.92 -43.11 86.04 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 118.062 0.392 . . . . 0.0 110.492 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -64.0 -35.59 81.21 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.864 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.479 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 32.2 mmtp -62.23 -45.05 95.06 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -177.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.58 -43.76 98.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.338 0.589 . . . . 0.0 109.482 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.8 mt -66.62 -46.25 76.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.728 -178.515 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.9 mt -68.03 -40.0 82.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.29 -51.1 65.16 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.325 0.391 . . . . 0.0 110.727 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -57.44 -45.08 85.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -73.03 -31.43 64.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 12.1 t70 -76.51 -40.82 48.98 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.65 -46.76 88.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.615 174.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.71 -45.1 93.15 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.39 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 55.9 pttt -69.21 -33.2 72.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.032 -177.779 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.01 -37.56 86.22 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.493 ' O ' ' HG3' ' B' ' 46' ' ' MET . 55.9 mt -68.8 -53.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.233 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -51.69 -38.23 54.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.995 177.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.74 -56.11 24.3 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.67 0.606 . . . . 0.0 109.946 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -73.79 -24.71 59.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.636 -177.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 18.8 mtp -80.19 -1.32 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.671 0.272 . . . . 0.0 110.925 178.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 t30 68.06 31.94 5.21 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.541 1.162 . . . . 0.0 109.8 177.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.13 108.29 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -135.36 23.29 3.46 Favored 'General case' 0 C--N 1.273 -2.735 0 CA-C-N 113.95 -1.477 . . . . 0.0 108.522 -178.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.71 94.64 9.15 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.942 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.459 ' HB2' ' HZ3' ' B' ' 51' ' ' LYS . 0.0 OUTLIER -81.59 3.75 24.02 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.121 -176.504 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -88.08 97.11 6.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.453 0 CA-C-O 121.675 0.75 . . . . 0.0 112.484 -175.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -88.04 -23.97 23.62 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.895 0.855 . . . . 0.0 108.704 173.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -117.2 174.33 6.18 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.015 -1.448 . . . . 0.0 107.126 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -83.62 150.65 25.77 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.687 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -164.93 -46.26 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 176.169 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -70.7 140.73 51.53 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 104.432 -2.433 . . . . 0.0 104.432 166.103 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -78.07 93.15 4.45 Favored 'General case' 0 C--N 1.281 -2.393 0 CA-C-O 121.908 0.861 . . . . 0.0 112.994 -176.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -78.81 -19.86 51.12 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 170.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 14.5 p80 179.98 163.01 1.04 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 175.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -133.74 91.04 2.78 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 32.9 m170 . . . . . 0 C--N 1.308 -1.234 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.824 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.36 115.84 23.69 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.1 mmt -62.79 -28.82 70.25 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -173.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.49 72.26 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 177.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -63.68 -43.41 96.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.75 -44.97 82.24 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.355 1.034 . . . . 0.0 110.402 177.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -43.8 95.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 178.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -66.52 -35.06 79.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.484 178.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.18 -42.46 99.38 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -59.83 -47.77 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.132 176.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 31.2 mm-40 -53.41 -52.38 59.56 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 124.063 0.852 . . . . 0.0 110.647 177.34 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -59.42 -48.1 82.91 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.191 -178.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.2 -36.57 79.77 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.095 0.474 . . . . 0.0 110.4 -176.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.57 -45.87 92.31 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 109.03 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.26 -40.78 94.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.234 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 49.6 mt-10 -55.62 -41.3 73.31 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.337 0.589 . . . . 0.0 109.858 174.609 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -45.74 69.41 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 178.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 15' ' ' LYS . 67.0 mt -54.96 -41.7 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 23.0 mt-30 -58.18 -44.17 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.455 0.702 . . . . 0.0 110.529 176.29 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 83.9 mt -66.63 -46.01 77.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 26' ' ' LEU . 49.0 t -59.76 -41.99 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 174.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.86 71.27 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.619 0.768 . . . . 0.0 111.949 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 20' ' ' LEU . 16.2 ptm180 -65.55 -19.01 65.75 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 25.7 t60 -59.05 -30.33 67.96 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 -2.67 1.65 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.724 -1.227 . . . . 0.0 113.768 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.4 mp -61.67 145.44 52.26 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 178.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 31' ' ' VAL . 10.1 t70 -80.23 162.14 24.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.202 -1.363 . . . . 0.0 108.518 173.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.629 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 73.8 m80 -50.95 -40.41 57.34 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.786 0.834 . . . . 0.0 110.922 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.11 -40.44 86.86 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.401 0.619 . . . . 0.0 110.243 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.09 -43.45 92.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.542 179.448 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 27' ' ' ASP . 97.6 t -62.35 -44.06 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 123.117 0.567 . . . . 0.0 109.727 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 66.5 mt -63.41 -52.96 59.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 179.432 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -58.32 -42.33 86.5 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 120.607 0.242 . . . . 0.0 111.121 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HG23 ' A' ' 21' ' ' VAL . 72.8 t80 -59.83 -51.45 69.69 Favored 'General case' 0 N--CA 1.435 -1.178 0 O-C-N 124.198 0.936 . . . . 0.0 111.024 177.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -67.03 -31.81 72.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.803 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 41.2 mtp85 -68.8 -40.28 79.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 109.884 178.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.13 -44.59 65.29 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 tp -57.35 -49.12 77.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.784 1.234 . . . . 0.0 111.752 177.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.68 -47.85 83.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 109.924 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.82 -34.04 77.42 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.155 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -62.92 -41.29 99.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.612 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.6 mt -66.01 -55.17 20.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.369 178.018 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -53.86 -33.43 56.32 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.985 0.914 . . . . 0.0 111.275 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.66 -48.31 79.87 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 124.3 1.04 . . . . 0.0 110.631 177.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.23 -28.02 34.99 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.6 mtp -72.64 -30.66 64.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 176.625 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 62.91 77.61 0.32 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.616 -1.629 . . . . 0.0 109.931 -177.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.59 103.59 14.95 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.47 -176.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -133.52 22.91 4.01 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-N 113.744 -1.571 . . . . 0.0 107.862 175.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.57 177.61 6.62 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.254 -178.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -96.3 26.3 4.4 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.481 0.658 . . . . 0.0 111.113 -175.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.08 -12.87 16.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.581 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -119.43 88.07 2.86 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.739 0.78 . . . . 0.0 110.049 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -128.64 80.2 1.95 Allowed 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 177.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt 54.62 -166.18 0.09 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.455 -170.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.74 81.28 1.94 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 122.181 0.991 . . . . 0.0 109.439 175.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -115.09 178.16 4.39 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.827 -1.533 . . . . 0.0 107.833 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.7 t60 71.31 -58.42 0.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.644 1.178 . . . . 0.0 110.876 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -88.54 117.75 27.71 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -177.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -127.75 129.36 46.95 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -172.67 162.78 5.11 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--N 1.303 -1.44 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.422 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 C--O 1.241 0.655 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 1.6 mp0 -60.71 119.37 8.02 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.775 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.1 ptp -81.86 -3.15 53.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.19 90.25 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -62.37 -39.28 92.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.626 0.37 . . . . 0.0 110.11 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.04 -45.08 91.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.783 178.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -63.46 -37.4 87.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.272 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.6 -28.61 67.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.497 179.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -75.69 -32.84 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.9 -44.67 98.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.995 173.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 36.6 mm-40 -54.94 -49.83 70.37 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 123.845 0.716 . . . . 0.0 109.31 174.319 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.63 -52.3 60.33 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -67.88 -40.22 83.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.866 -176.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -53.8 -50.84 65.25 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.481 1.112 . . . . 0.0 108.475 174.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.61 -42.36 98.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.663 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -45.62 81.01 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.477 0.656 . . . . 0.0 110.493 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -42.12 82.0 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.698 -178.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.2 mt -59.17 -40.81 81.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.919 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.76 -27.85 69.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -75.96 -50.03 16.07 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.331 178.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 1.1 m -65.93 -27.57 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.822 176.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.37 -43.48 77.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -72.36 -8.61 55.88 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.424 . . . . 0.0 111.809 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 38.8 t-80 -64.95 -26.11 68.16 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.269 172.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.79 38.16 0.22 Allowed Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.602 -0.809 . . . . 0.0 113.486 177.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 46.7 mt -93.41 151.98 19.4 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 121.58 0.705 . . . . 0.0 111.735 177.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.566 ' O ' HG22 ' B' ' 31' ' ' VAL . 13.1 m-20 -82.22 163.46 21.87 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 173.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.643 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 50.4 m80 -52.13 -39.88 60.54 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.088 0.404 . . . . 0.0 110.672 178.36 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.65 -47.36 85.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.479 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -63.16 -40.85 98.75 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.86 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.566 HG22 ' O ' ' B' ' 27' ' ' ASP . 33.2 t -62.55 -44.16 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.772 177.289 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.3 mt -63.33 -44.78 93.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.88 -41.06 92.03 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.367 0.417 . . . . 0.0 111.489 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -64.93 -49.09 71.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.44 178.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.4 p -61.43 -38.43 87.1 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 13.3 ptm180 -73.51 -37.24 65.74 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.11 -42.03 76.65 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.91 -41.66 97.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.996 177.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.269 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.5 -35.87 81.33 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.513 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.24 -44.64 96.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.354 0.597 . . . . 0.0 109.908 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' ' HG2' ' B' ' 46' ' ' MET . 44.3 mt -68.97 -51.15 47.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.667 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.55 -27.92 68.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.802 0.334 . . . . 0.0 111.77 -179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.93 -54.59 43.1 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.761 0.824 . . . . 0.0 108.915 174.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.426 ' HB3' HD23 ' A' ' 26' ' ' LEU . 40.5 m-85 -74.74 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 14.6 mmt -73.67 -18.06 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 173.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 65.88 21.5 11.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.006 1.322 . . . . 0.0 109.65 -178.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.1 100.73 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 CA-C-O 122.276 1.036 . . . . 0.0 108.384 -178.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -134.72 22.85 3.63 Favored 'General case' 0 C--N 1.25 -3.741 0 CA-C-N 113.456 -1.702 . . . . 0.0 107.161 -177.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.457 ' HB3' HG23 ' B' ' 52' ' ' VAL . 15.1 m-20 -54.84 144.75 21.65 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.09 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -97.04 7.87 45.72 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.75 -178.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' B' ' 50' ' ' ASP . 21.6 m -99.81 177.67 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -70.44 111.75 6.21 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -99.87 -167.93 1.53 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.667 -178.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.02 135.75 57.67 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -73.62 92.45 1.95 Allowed 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 174.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -101.65 127.2 48.5 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.494 -173.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -162.35 169.93 19.71 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 179.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -79.44 143.28 35.13 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -87.98 111.71 21.79 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -75.25 135.21 40.98 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.872 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 m170 . . . . . 0 C--N 1.298 -1.665 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 177.716 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 29.0 mmt . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 119.748 -0.167 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 67.33 117.56 0.03 OUTLIER 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.761 1.224 . . . . 0.0 111.919 176.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.5 ptm -57.91 -29.74 65.34 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.109 -174.17 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.64 -49.4 79.01 Favored Glycine 0 C--O 1.243 0.665 0 C-N-CA 121.528 -0.368 . . . . 0.0 112.315 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.4 mt-30 -73.0 -42.64 63.03 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.156 0.503 . . . . 0.0 109.871 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.76 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 3' ' ' MET . 1.3 tmmm? -60.66 -42.25 96.67 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.349 0.66 . . . . 0.0 109.446 -179.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.01 -35.26 80.08 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.1 mmmt -69.23 -39.3 78.62 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.29 -52.19 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -50.98 -52.12 45.91 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 123.967 0.792 . . . . 0.0 111.064 177.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.84 -49.26 77.25 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.742 -178.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -70.02 -37.81 75.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.108 0.48 . . . . 0.0 110.356 -176.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.7 ttpt -59.78 -44.33 93.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.669 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.54 -38.33 86.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.017 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.38 -39.0 75.13 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.18 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HG21 ' A' ' 21' ' ' VAL . 15.7 tp -69.85 -45.44 67.76 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.177 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.5 mt -56.4 -42.81 75.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 123.371 0.419 . . . . 0.0 109.996 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.79 -34.05 75.19 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 177.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.03 -50.22 30.32 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.385 -0.197 . . . . 0.0 110.76 177.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' LEU . 36.9 t -59.51 -38.0 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 121.397 0.618 . . . . 0.0 110.177 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.3 -52.06 51.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.656 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.72 -19.0 65.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.638 -177.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.07 -42.65 81.03 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.05 38.25 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.116 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.703 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 47.1 mt -92.17 150.83 20.7 Favored 'General case' 0 CA--C 1.483 -1.616 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.779 176.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.36 158.64 27.4 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 172.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.626 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.5 t-160 -54.14 -34.23 59.83 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 123.277 0.361 . . . . 0.0 110.398 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 t70 -63.68 -46.01 87.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 178.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.1 mmtp -59.35 -43.99 92.73 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.047 178.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.9 -42.24 91.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 122.429 0.292 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 55.7 mt -63.14 -46.06 89.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 62.3 mt -66.86 -46.3 75.47 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.456 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE1' HG12 ' B' ' 42' ' ' ILE . 57.0 t80 -61.79 -49.29 76.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 123.643 0.589 . . . . 0.0 111.696 -178.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 p -57.37 -46.16 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.365 0.416 . . . . 0.0 111.74 -177.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.23 -30.79 62.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.83 -46.58 35.59 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.7 tp -59.02 -43.42 91.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.807 176.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.6 -37.8 79.52 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.727 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.37 -31.2 42.84 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.424 -0.91 . . . . 0.0 110.769 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 4.8 tt -61.48 -37.7 84.58 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.616 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.3 mt -68.43 -55.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.386 178.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.433 ' ND2' ' HZ3' ' A' ' 51' ' ' LYS . 23.8 m-80 -54.98 -29.17 56.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.2 1.0 . . . . 0.0 112.02 177.465 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.7 ttmt -60.85 -46.9 88.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.414 1.086 . . . . 0.0 109.594 175.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -83.08 -29.49 28.73 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.55 -179.008 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.616 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 78.6 mtp -68.59 -29.11 67.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.089 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 65.34 28.67 11.76 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.968 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.82 133.54 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 178.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -127.06 9.08 6.76 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.845 0.831 . . . . 0.0 109.754 178.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.33 76.58 8.33 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 -176.607 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HZ3' ' ND2' ' A' ' 43' ' ' ASN . 8.5 ptpp? -107.7 8.23 28.86 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 122.494 1.14 . . . . 0.0 107.977 171.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -91.05 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 113.624 -1.625 . . . . 0.0 107.674 178.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -109.98 92.91 4.24 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -109.56 92.86 4.22 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.39 -177.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.09 143.93 31.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -91.39 141.4 28.79 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.985 0.421 . . . . 0.0 111.053 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -109.04 107.98 18.52 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -91.69 -8.6 46.56 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -119.72 71.28 0.88 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 122.158 0.98 . . . . 0.0 108.643 176.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -101.15 -29.57 12.05 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.25 -1.341 . . . . 0.0 108.145 178.04 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -134.64 173.96 11.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.074 -0.967 . . . . 0.0 108.814 176.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 . . . . . 0 C--N 1.295 -1.779 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.449 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 CA--C 1.498 -1.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -124.02 157.88 33.41 Favored 'General case' 0 CA--C 1.488 -1.427 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -171.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.8 ptm -153.11 -33.26 0.12 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.879 -1.964 . . . . 0.0 108.277 170.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.23 -49.0 22.69 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -69.5 -23.41 63.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.855 0.836 . . . . 0.0 109.763 178.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.26 -46.04 57.58 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.93 71.66 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -58.46 -45.07 89.35 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.035 172.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -70.74 -32.42 69.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.849 177.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mt -59.11 -48.56 86.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -52.72 -55.17 24.61 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 123.688 0.618 . . . . 0.0 109.942 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 5.9 t30 -51.48 -51.57 53.96 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.029 0.83 . . . . 0.0 112.373 178.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.11 -44.67 75.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.049 0.452 . . . . 0.0 111.274 -174.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.437 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.2 ttpt -57.28 -43.79 83.43 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 124.124 0.97 . . . . 0.0 109.606 177.002 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -72.52 -32.97 66.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.711 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 42.9 mt-10 -59.84 -40.91 90.14 Favored 'General case' 0 C--N 1.343 0.308 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 173.191 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.468 ' O ' HG22 ' B' ' 21' ' ' VAL . 15.3 tp -67.68 -44.77 76.99 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.617 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.55 -43.68 65.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 123.575 0.547 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 49.0 mt-30 -65.94 -29.36 69.75 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.453 178.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.449 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 78.2 mt -74.73 -48.72 24.21 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.37 -0.206 . . . . 0.0 110.784 176.395 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.1 t -61.58 -31.88 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.479 0.657 . . . . 0.0 109.563 176.275 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -44.26 77.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.004 177.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 12.6 ptp180 -76.45 0.32 20.17 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.227 0.537 . . . . 0.0 111.778 -178.301 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.544 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 23.0 t-80 -67.79 -27.58 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.376 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.63 32.33 0.66 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.156 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.3 mt -76.17 148.11 37.99 Favored 'General case' 0 CA--C 1.488 -1.416 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.617 178.121 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.49 160.51 32.59 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.563 171.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.521 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 3.0 t60 -55.46 -43.73 75.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -178.189 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.78 -35.21 79.83 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.479 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.1 mmtm -64.98 -44.68 88.53 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 123.491 0.495 . . . . 0.0 111.608 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.76 -45.07 98.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.5 mt -58.22 -55.07 39.78 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.84 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -42.33 98.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.044 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.33 -49.9 75.1 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.356 0.41 . . . . 0.0 110.54 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -60.11 -32.44 70.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -74.72 -52.01 12.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.094 0.473 . . . . 0.0 110.626 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.21 -40.49 96.28 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.385 -174.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -71.82 -37.73 70.28 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.586 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.93 -44.09 97.01 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.69 -39.26 88.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.85 177.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.82 -42.59 93.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.422 HD13 ' CD ' ' B' ' 14' ' ' LYS . 69.9 mt -71.85 -44.33 67.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.264 178.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.31 -33.55 67.81 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.151 0.5 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.93 -49.14 75.96 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.716 177.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.59 -28.95 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.417 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 4.3 mmt -67.91 -19.27 64.98 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.34 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 m120 55.52 59.1 4.08 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.877 1.271 . . . . 0.0 110.053 -175.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -71.31 106.18 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.402 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.187 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -102.09 1.0 35.79 Favored 'General case' 0 C--N 1.278 -2.529 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.603 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.17 111.18 17.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.625 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -93.6 8.3 41.34 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.54 0.686 . . . . 0.0 110.427 -178.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 m -107.24 151.2 9.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.989 -177.402 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 63.0 m80 72.45 141.91 0.06 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.123 1.369 . . . . 0.0 111.981 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 73.23 113.2 0.06 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.201 1.4 . . . . 0.0 112.75 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.1 92.71 7.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 66.39 -72.77 0.08 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.786 1.234 . . . . 0.0 110.342 -175.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -142.03 -3.94 1.07 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -83.68 142.23 30.9 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -178.17 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 64.12 46.06 3.83 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.441 1.115 . . . . 0.0 109.09 -178.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -76.45 165.0 25.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.306 -1.316 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 m170 74.86 139.74 0.06 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.84 1.256 . . . . 0.0 110.684 -175.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--N 1.286 -2.166 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.396 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptt? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.23 144.72 26.69 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.44 178.516 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -55.22 -36.12 65.63 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.986 0.804 . . . . 0.0 111.468 -178.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.67 91.75 Favored Glycine 0 C--O 1.226 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.157 179.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.45 -25.38 28.99 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.122 0.487 . . . . 0.0 110.275 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.96 -41.25 78.22 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 172.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 11.1 mmmt -58.83 -38.28 78.32 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.321 174.316 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.54 -41.26 89.64 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.81 0.694 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -65.0 -47.14 78.57 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -57.43 -50.04 78.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.417 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 14.5 mm-40 -54.57 -51.51 65.02 Favored 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 123.842 0.714 . . . . 0.0 111.025 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.7 t30 -61.68 -47.49 85.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.317 0.385 . . . . 0.0 111.53 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.32 -40.41 97.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.05 0.452 . . . . 0.0 110.213 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.0 ttpt -57.7 -52.38 65.68 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 109.258 176.217 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 7.1 mtpm? -65.81 -34.0 77.14 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.771 -177.563 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 38.8 mt-10 -62.73 -42.72 99.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.0 175.063 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' HG21 ' A' ' 21' ' ' VAL . 12.2 tp -64.25 -46.41 83.88 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.024 178.008 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.3 mt -54.56 -44.76 70.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 123.953 0.783 . . . . 0.0 110.023 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.524 0.515 . . . . 0.0 111.157 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.35 -47.63 66.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.565 ' O ' HD12 ' A' ' 26' ' ' LEU . 21.3 t -63.56 -37.32 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 120.958 0.409 . . . . 0.0 109.922 176.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -65.11 -50.55 65.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.306 0.642 . . . . 0.0 112.489 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -61.71 -19.27 62.21 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.477 0.311 . . . . 0.0 111.834 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 44.6 t-80 -57.44 -28.48 63.35 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.575 0.75 . . . . 0.0 111.155 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.32 -2.6 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.185 -1.484 . . . . 0.0 114.007 178.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -60.52 149.73 33.61 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.34 176.42 7.54 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.286 177.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 16.1 m-70 -66.22 -43.63 86.12 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.509 -178.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.84 -32.02 73.15 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 178.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.27 -45.71 79.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.456 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.98 -40.48 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 78.8 mt -61.75 -53.51 55.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 177.634 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.864 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.86 -52.0 62.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.8 p -66.15 -38.1 87.29 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.4 ptm180 -68.69 -34.02 74.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.953 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.9 -48.04 48.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 42' ' ' ILE . 31.3 tp -54.3 -50.74 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.769 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.76 -48.68 78.97 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.306 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.89 -36.57 83.77 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.733 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.51 -45.76 92.62 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.373 0.669 . . . . 0.0 110.387 177.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.636 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.1 mt -64.39 -56.84 14.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.734 -178.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.3 -29.37 61.11 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.069 0.948 . . . . 0.0 111.872 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.65 -49.82 69.51 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.647 0.779 . . . . 0.0 109.919 175.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -73.82 -33.1 64.03 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.637 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 68.2 mtp -66.92 -41.48 87.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.417 ' OD1' ' HD2' ' A' ' 49' ' ' LYS . 27.7 t-20 77.94 76.22 0.07 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.871 1.32 . . . . 0.0 109.364 -171.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.0 131.79 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 CA-C-N 113.662 -1.608 . . . . 0.0 107.609 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 1.9 mppt? -130.31 7.5 4.98 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -177.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.4 87.84 6.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.109 -1.86 . . . . 0.0 108.885 -172.189 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -87.57 -1.09 57.71 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.624 0.726 . . . . 0.0 111.97 -176.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m -82.23 -6.65 10.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 122.365 1.079 . . . . 0.0 108.933 172.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.19 7.1 19.39 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.695 175.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -142.25 115.17 8.71 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.455 -173.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -120.99 107.45 12.67 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.431 178.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.52 -67.0 0.94 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 68.98 122.08 0.03 OUTLIER 'General case' 0 C--O 1.243 0.725 0 C-N-CA 125.64 1.576 . . . . 0.0 112.797 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -79.8 68.88 6.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -176.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -102.01 4.95 40.37 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.323 176.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 70.87 -47.2 0.65 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.802 1.641 . . . . 0.0 111.374 -178.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -80.81 117.94 21.9 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 t60 . . . . . 0 C--N 1.299 -1.625 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -179.117 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.7 tpp . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 11.5 tp10 -83.39 132.03 35.01 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -81.14 -15.45 55.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.387 . . . . 0.0 109.971 -179.088 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.31 77.84 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.579 175.234 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 9.6 pt20 -73.5 -33.23 64.69 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.025 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.89 -46.58 68.02 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 mmmt -63.18 -36.74 84.63 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.041 177.021 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.46 -43.03 97.31 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.516 0.51 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 67.8 mttm -61.5 -46.61 89.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.01 -51.04 73.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 O-C-N 123.855 0.722 . . . . 0.0 110.206 178.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 31.4 mm-40 -57.22 -52.97 63.17 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.561 0.538 . . . . 0.0 111.208 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.73 -49.64 74.61 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 123.809 0.693 . . . . 0.0 110.924 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.78 -46.83 77.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.002 -176.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 32.8 ttpt -57.0 -46.42 82.31 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.606 1.163 . . . . 0.0 110.208 177.085 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 8.0 mtpm? -67.49 -36.01 80.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.124 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' NE2' ' B' ' 19' ' ' GLN . 47.4 mm-40 -60.93 -35.81 77.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.14 0.495 . . . . 0.0 111.037 174.002 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.4 HD12 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -72.31 -45.46 59.87 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.873 177.337 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 87.3 mt -54.69 -43.42 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.483 0.489 . . . . 0.0 110.156 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' B' ' 16' ' ' GLU . 43.8 mt-30 -59.08 -39.41 82.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.128 176.788 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.56 -48.64 66.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.044 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.565 ' O ' HD12 ' B' ' 26' ' ' LEU . 25.4 t -60.0 -42.67 90.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.036 0.446 . . . . 0.0 110.148 175.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 112.103 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.09 -9.94 55.14 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 49.5 t-80 -66.47 -30.14 70.41 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 120.775 0.321 . . . . 0.0 110.426 176.038 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.72 5.51 0.25 Allowed Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 119.258 -1.449 . . . . 0.0 113.842 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.565 HD12 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -63.76 151.18 42.81 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.853 0.835 . . . . 0.0 113.222 176.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.47 ' O ' HG22 ' B' ' 31' ' ' VAL . 5.0 m-20 -85.6 169.18 13.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 173.275 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.521 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 64.8 m80 -60.49 -39.22 86.92 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 117.917 0.326 . . . . 0.0 110.74 179.282 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 52.9 m-20 -63.98 -39.68 94.67 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.159 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -58.7 -44.41 90.31 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 27' ' ' ASP . 43.8 t -62.13 -46.05 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.465 0.478 . . . . 0.0 109.819 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.9 mt -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.66 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.7 mt -70.43 -39.43 74.4 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -65.1 -51.98 58.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.301 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 p -60.49 -37.86 82.45 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -73.1 -36.68 66.81 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.997 -178.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 14.1 t70 -69.59 -45.18 69.22 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.139 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.553 176.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.34 -41.04 88.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.909 -179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 12.8 pttm -70.91 -33.7 70.81 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.557 -177.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.35 -38.02 89.52 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' B' ' 46' ' ' MET . 74.5 mt -68.1 -55.18 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.803 179.312 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.43 -42.76 61.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.484 0.713 . . . . 0.0 111.072 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.16 -48.46 78.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 178.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD23 ' A' ' 26' ' ' LEU . 43.8 m-85 -80.03 -25.2 40.27 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.328 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.7 mtp -68.35 -21.47 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.555 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.1 t30 68.06 25.53 7.48 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.771 1.272 . . . . 0.0 108.74 178.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.78 143.84 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.739 -177.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -130.18 21.97 5.27 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 -177.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.65 91.65 4.04 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.121 -174.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -126.5 46.33 2.49 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.501 -1.681 . . . . 0.0 106.924 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -51.7 144.72 2.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 113.142 -1.845 . . . . 0.0 113.363 -177.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -123.07 145.48 48.51 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.281 -1.327 . . . . 0.0 107.888 -178.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 64.87 83.22 0.17 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.923 0.764 . . . . 0.0 109.527 -176.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.469 HD22 ' H ' ' B' ' 55' ' ' LEU . 2.0 pt? -81.17 84.59 6.52 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 122.836 1.303 . . . . 0.0 110.119 179.592 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.53 -37.0 8.99 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.598 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 29.2 m170 63.85 -172.53 0.17 Allowed 'General case' 0 C--O 1.25 1.102 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.56 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . 0.282 7.4 p-80 -97.66 68.7 2.11 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.633 1.206 . . . . 0.0 111.299 175.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.75 -47.81 65.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.913 -1.494 . . . . 0.0 107.843 179.012 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -100.5 73.04 1.61 Allowed 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.485 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -88.2 156.11 19.4 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.123 -178.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 51.8 m80 . . . . . 0 C--N 1.29 -2.013 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 179.284 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.823 0.344 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.72 112.11 14.45 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -179.067 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptp -79.89 -12.37 59.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -174.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.93 -54.38 14.62 Favored Glycine 0 N--CA 1.439 -1.165 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 177.559 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 26.1 mm-40 -66.74 -19.17 65.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.821 0.343 . . . . 0.0 110.441 178.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.4 -50.18 16.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.83 -34.05 72.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.588 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 13.5 t-20 -57.77 -41.54 82.21 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.288 1.435 . . . . 0.0 110.471 177.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 44.5 mmtm -75.36 -32.47 60.86 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.1 mt -67.91 -44.43 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.949 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 11.4 mm-40 -58.76 -50.62 73.25 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.702 0.626 . . . . 0.0 110.051 177.391 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.68 -50.22 74.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.87 -179.096 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.48 -41.78 92.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.188 0.518 . . . . 0.0 110.544 -175.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.9 ttpt -59.9 -44.8 94.05 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 124.294 1.037 . . . . 0.0 109.617 175.53 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 62.4 mtpt -65.94 -37.35 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.38 -42.28 81.83 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.116 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.6 -46.15 80.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.387 178.919 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.3 mt -57.54 -41.8 79.74 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 123.661 0.601 . . . . 0.0 110.032 -178.435 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.43 -39.47 93.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 176.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.9 -49.8 55.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.61 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 ' O ' HD12 ' A' ' 26' ' ' LEU . 6.8 p -66.31 -31.75 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.779 177.324 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -60.28 -51.54 69.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.791 0.329 . . . . 0.0 110.582 175.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -66.63 -17.62 64.93 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 32.6 t-80 -54.56 -41.45 69.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.296 173.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.77 -7.48 0.13 Allowed Glycine 0 N--CA 1.438 -1.226 0 C-N-CA 119.496 -1.335 . . . . 0.0 112.914 -176.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.57 144.56 31.31 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-O 122.164 0.983 . . . . 0.0 113.392 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' HG21 ' A' ' 31' ' ' VAL . 7.9 m-20 -78.35 159.78 28.19 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.457 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -64.6 -26.93 68.62 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 118.314 0.506 . . . . 0.0 111.898 178.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.3 t70 -68.05 -40.35 82.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.61 173.518 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -61.16 -38.25 85.79 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.154 177.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 27' ' ' ASP . 59.1 t -65.09 -38.52 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 123.53 0.519 . . . . 0.0 109.828 -178.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -47.0 79.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.775 177.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 63.0 mt -66.65 -45.1 80.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.558 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 87.6 t80 -61.64 -52.35 64.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.08 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.4 p -62.49 -37.2 85.08 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -175.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.94 -41.43 64.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -178.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.96 -45.71 66.82 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 42' ' ' ILE . 40.8 tp -54.97 -50.07 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.599 1.16 . . . . 0.0 111.558 178.4 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.45 -47.47 76.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.097 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -67.84 -34.8 77.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.067 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.24 -40.61 90.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.056 0.455 . . . . 0.0 110.329 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.8 mt -65.97 -56.99 12.34 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.046 -179.691 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 48' ' ' VAL . 94.2 m-20 -57.97 -31.26 66.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.24 -178.471 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.84 -49.67 75.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.56 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.04 -33.77 63.85 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.435 -179.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 62.6 mtp -63.55 -23.58 67.45 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.612 0.57 . . . . 0.0 110.612 178.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 78.0 11.06 2.0 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.687 1.195 . . . . 0.0 109.778 -179.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' ASN . 25.3 m -114.15 117.21 54.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.69 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -111.15 24.66 12.61 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 122.661 1.219 . . . . 0.0 109.718 -177.115 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -138.73 156.49 47.34 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 104.236 -2.505 . . . . 0.0 104.236 174.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -94.61 6.52 48.61 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.649 -0.821 . . . . 0.0 111.532 -178.119 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.0 m -128.66 162.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.039 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.504 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -71.61 -17.74 62.26 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.343 0.402 . . . . 0.0 110.854 -178.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 70.27 80.7 0.17 Allowed 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 176.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.15 113.81 25.83 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.292 177.177 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.47 -48.42 72.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.107 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -133.91 111.05 10.14 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.479 179.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -108.98 109.67 20.77 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.86 0.838 . . . . 0.0 110.163 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.18 28.53 6.34 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -145.04 143.4 30.45 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 -178.103 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 75.73 -58.23 0.55 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.168 0.987 . . . . 0.0 110.521 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 . . . . . 0 C--N 1.291 -1.938 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.65 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.8 tpp . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.05 133.22 53.43 Favored 'General case' 0 N--CA 1.412 -2.339 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.2 ptp -65.46 -30.96 71.81 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.595 -177.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 -36.31 65.63 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 26.9 mm-40 -76.85 -31.29 56.75 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.127 177.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.42 -46.46 88.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -34.46 78.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.761 179.085 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.128 177.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 35.2 mmtp -66.02 -37.59 86.29 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 177.305 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.23 -47.62 91.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.865 176.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -59.58 -50.02 75.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.82 -52.17 51.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.701 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.83 -38.18 73.23 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.643 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.562 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.3 ttpt -56.63 -50.02 73.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.475 0.71 . . . . 0.0 109.248 175.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -60.45 -40.3 90.66 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.313 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -57.83 -41.38 82.16 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.252 0.548 . . . . 0.0 110.635 176.132 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.17 -45.11 77.98 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.844 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.562 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -56.88 -43.89 81.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.14 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.183 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -77.96 -47.44 18.55 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.097 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.73 -27.36 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 0 CA-C-O 121.464 0.649 . . . . 0.0 110.2 177.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.69 -45.62 71.17 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.187 178.352 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -75.08 -1.0 20.93 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.344 0.592 . . . . 0.0 111.643 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.5 t-80 -72.0 -29.0 63.77 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.792 171.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.57 -8.3 0.86 Allowed Glycine 0 CA--C 1.508 -0.358 0 C-N-CA 119.174 -1.489 . . . . 0.0 114.065 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -56.58 141.41 43.28 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.525 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 4.5 m-20 -75.5 176.08 7.9 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.491 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 62.2 m170 -68.59 -38.81 80.95 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.263 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -32.05 72.57 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 120.521 0.2 . . . . 0.0 110.737 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 31.4 mmtm -59.73 -45.63 91.58 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.485 HG22 ' O ' ' B' ' 27' ' ' ASP . 60.5 t -62.58 -43.96 98.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.387 179.748 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 94.2 mt -60.98 -52.88 63.14 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.182 0.593 . . . . 0.0 111.633 178.641 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.87 -39.83 95.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.7 -52.67 41.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 54.6 p -59.01 -39.4 81.75 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -175.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -73.34 -37.07 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.731 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -69.15 -40.81 77.97 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.93 -50.11 74.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.349 175.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.45 -45.91 84.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.961 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -56.3 -47.01 79.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 125.332 1.453 . . . . 0.0 110.502 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.78 -41.77 95.6 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.682 ' O ' ' HG3' ' B' ' 46' ' ' MET . 53.4 mt -67.83 -51.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.071 -178.176 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.31 -35.43 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.954 0.502 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.49 -45.32 92.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.732 178.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -78.72 -32.76 46.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.3 mtp -65.26 -29.68 70.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.178 -178.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 69.36 16.95 8.27 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.499 1.12 . . . . 0.0 112.162 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.2 133.3 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.612 178.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -110.3 99.09 8.18 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.36 93.26 2.89 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 122.938 1.351 . . . . 0.0 110.786 -178.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -100.99 33.4 2.84 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.306 176.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.63 60.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.442 -1.254 . . . . 0.0 113.925 -175.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -82.91 144.26 30.16 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 172.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt 63.46 83.85 0.16 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -168.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' B' ' 57' ' ' HIS . 2.5 pt? -66.27 141.06 58.15 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.289 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.58 25.83 0.73 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 120.804 0.335 . . . . 0.0 110.388 -176.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' B' ' 55' ' ' LEU . 38.8 m80 55.67 81.24 0.12 Allowed 'General case' 0 CA--C 1.5 -0.967 0 C-N-CA 124.481 1.113 . . . . 0.0 110.586 -175.127 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -88.37 -17.78 29.83 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.654 -173.233 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -92.58 68.03 4.72 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 122.162 0.982 . . . . 0.0 109.985 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -136.62 -50.85 0.68 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 62.99 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.39 1.476 . . . . 0.0 112.373 173.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.034 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 CA--C 1.506 -0.716 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -46.27 118.27 1.87 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 0.0 111.693 -177.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.3 ptm -54.96 -35.27 64.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.456 0.703 . . . . 0.0 112.794 -174.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.33 91.36 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.087 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.5 mm-40 -88.16 -39.4 14.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.817 0.341 . . . . 0.0 111.251 177.578 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.95 -51.68 68.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.728 -177.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -67.19 -28.48 68.13 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.057 179.545 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.66 -41.53 88.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.475 178.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.3 mmmt -68.7 -37.49 79.57 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.69 -51.5 69.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 175.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 33.3 mm-40 -52.83 -52.83 55.61 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 123.612 0.57 . . . . 0.0 111.452 178.022 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 45.8 t30 -60.07 -47.56 85.35 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.767 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 3.0 tppp? -69.51 -38.67 77.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -176.628 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 32.2 ttpt -59.44 -45.08 92.58 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.486 0.715 . . . . 0.0 109.657 175.457 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 28.4 mtpp -62.67 -42.71 99.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.205 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 mm-40 -55.91 -41.08 73.98 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 176.123 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.13 -45.23 81.77 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.814 178.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.4 mt -57.76 -43.02 83.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.725 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 70.9 mt-30 -59.16 -41.33 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.616 0.573 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.3 mt -66.38 -49.58 66.37 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.816 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.4 m -65.44 -31.34 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.889 177.179 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.13 68.49 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.245 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -67.58 -18.54 65.03 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.721 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.518 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.5 t-80 -55.26 -40.54 71.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 172.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.81 45.81 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.825 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.356 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.9 mt -93.8 147.77 22.75 Favored 'General case' 0 CA--C 1.477 -1.859 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.592 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 8.7 m-20 -65.94 160.26 23.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 171.07 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.558 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -63.9 -33.73 76.35 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.82 177.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.25 -35.36 80.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.467 174.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.7 mmtm -63.57 -45.14 91.83 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.8 -43.98 85.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.3 mt -61.02 -53.56 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.572 177.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.4 -39.69 94.06 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.578 -178.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.435 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 81.5 t80 -64.75 -50.1 68.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 178.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 p -64.55 -34.88 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 83.2 mtp180 -67.76 -44.27 77.89 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.651 178.292 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 11.2 t70 -72.94 -40.74 65.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.174 -176.756 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.6 -44.66 96.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.934 177.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -34.97 79.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.37 -177.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.4 pttm -69.74 -33.73 72.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.069 -178.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.83 -37.53 86.48 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 46' ' ' MET . 64.1 mt -73.31 -44.41 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.093 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -57.34 -36.91 71.76 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.834 0.35 . . . . 0.0 110.782 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.8 -48.47 78.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.899 178.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -79.22 -28.03 42.51 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.2 mmt -68.11 -30.22 69.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 173.604 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' OD1' ' HE3' ' A' ' 49' ' ' LYS . 66.4 t30 63.23 33.54 14.14 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.724 1.61 . . . . 0.0 108.785 -177.636 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG11 ' HB3' ' A' ' 46' ' ' MET . 15.8 m -77.0 103.18 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.27 0 CA-C-O 122.164 0.983 . . . . 0.0 111.049 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HE3' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mttt -104.12 99.4 9.14 Favored 'General case' 0 C--N 1.266 -3.023 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 176.678 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.3 168.78 13.54 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.794 0.807 . . . . 0.0 112.719 -173.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -122.96 23.4 9.34 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.587 177.106 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.4 -24.54 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 121.379 0.609 . . . . 0.0 109.424 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -84.51 160.45 20.51 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -90.55 112.53 24.25 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.535 0.683 . . . . 0.0 111.119 -176.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.0 mt -94.23 -175.74 3.76 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.145 177.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.08 164.58 25.91 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.202 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -85.05 70.0 10.86 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.871 0.843 . . . . 0.0 110.648 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 64.3 73.42 0.43 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.293 -178.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -105.33 -47.64 3.9 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.008 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -93.11 -41.61 9.85 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 N--CA 1.425 -1.695 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.926 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 113.35 3.46 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.0 mtm -81.52 -1.55 46.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -175.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.17 65.84 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 170.535 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.99 -36.19 77.56 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.981 -0.61 . . . . 0.0 109.98 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 10' ' ' ILE . 2.6 tm? -60.95 -45.32 95.21 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.532 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -38.14 89.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.727 0.411 . . . . 0.0 109.999 177.457 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.61 -42.27 98.64 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.649 0.78 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.69 -37.24 82.02 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.689 176.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 6' ' ' LEU . 64.4 mt -59.63 -51.07 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.136 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 63.1 mm-40 -54.62 -52.57 61.84 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 123.619 0.574 . . . . 0.0 110.084 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.82 -45.07 90.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.614 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.452 ' HA ' ' CE ' ' B' ' 13' ' ' LYS . 0.7 OUTLIER -70.22 -40.5 74.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.7 -175.701 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.2 ttpt -57.87 -46.35 84.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.323 175.201 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 30.3 mtpp -66.92 -41.41 87.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.826 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.1 mt-10 -58.37 -36.11 72.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 174.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.502 ' O ' HG21 ' B' ' 21' ' ' VAL . 15.4 tp -68.55 -48.3 64.64 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.951 176.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.3 mt -53.36 -44.83 55.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 123.722 0.639 . . . . 0.0 110.248 179.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.34 -33.11 73.07 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.562 0.539 . . . . 0.0 111.292 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 88.9 mt -74.2 -46.9 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.273 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.502 HG21 ' O ' ' B' ' 17' ' ' LEU . 38.8 t -58.84 -38.27 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-O 121.394 0.616 . . . . 0.0 109.663 175.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -66.11 -49.41 67.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.025 0.93 . . . . 0.0 111.803 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 7.7 ptm180 -69.67 -6.33 30.83 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.909 0.385 . . . . 0.0 111.952 -177.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 29.0 t-80 -67.52 -35.87 79.92 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.233 174.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.03 -5.99 0.27 Allowed Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.753 -1.213 . . . . 0.0 112.718 -177.145 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -59.27 141.7 53.73 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.528 ' O ' HG22 ' B' ' 31' ' ' VAL . 27.0 m-20 -88.76 175.39 7.51 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.485 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 t-80 -56.93 -39.79 75.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.172 0.442 . . . . 0.0 110.637 -176.751 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.1 t70 -54.26 -47.31 72.43 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 124.538 1.135 . . . . 0.0 110.594 176.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -65.23 -37.77 88.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.4 -178.008 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.528 HG22 ' O ' ' B' ' 27' ' ' ASP . 20.2 t -68.33 -39.21 80.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.1 mt -63.48 -57.69 9.41 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.828 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 61.8 mt -62.84 -37.09 85.43 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.529 -175.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.6 -50.75 63.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.751 178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.3 p -60.31 -38.38 83.52 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 93.9 mtt180 -65.53 -51.97 56.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.214 0.606 . . . . 0.0 111.21 178.79 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.05 -36.32 77.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.602 -174.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.6 -44.04 87.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.614 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.53 -48.53 81.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.086 -178.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -57.9 -42.83 85.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.522 177.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.2 -45.23 95.45 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.587 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.5 mt -66.26 -50.77 65.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.592 -179.448 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.28 -37.29 64.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.215 0.606 . . . . 0.0 111.159 178.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.86 -51.46 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.124 176.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.42 -33.17 64.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 36.8 mtp -70.89 -9.16 57.18 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.333 0.587 . . . . 0.0 109.769 179.005 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.0 t30 69.62 46.02 0.75 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.168 1.787 . . . . 0.0 110.575 178.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.16 110.14 27.32 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.848 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -95.33 100.27 12.08 Favored 'General case' 0 C--N 1.272 -2.8 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -119.9 116.14 25.21 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -145.86 19.24 1.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 168.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.0 -21.39 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.824 -175.221 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -91.61 -19.59 22.54 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.041 175.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -156.85 123.49 5.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -177.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.4 102.21 0.02 OUTLIER 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.158 1.783 . . . . 0.0 115.519 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.08 -51.73 65.48 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.052 179.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -95.37 76.86 3.39 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-O 122.126 0.965 . . . . 0.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -149.28 99.25 2.91 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.47 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -154.52 -47.57 0.09 Allowed 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -178.61 138.7 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.177 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -132.45 164.66 26.06 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.813 179.535 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 C--N 1.287 -2.14 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 173.099 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.68 154.5 17.3 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 -177.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.629 -175.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.54 -46.07 95.09 Favored Glycine 0 C--O 1.239 0.467 0 O-C-N 123.481 0.488 . . . . 0.0 112.056 178.116 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -79.5 -28.88 41.42 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.136 -179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.83 -43.51 92.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -59.83 -39.91 86.68 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.991 175.228 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -62.38 -41.98 99.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.726 0.641 . . . . 0.0 109.601 178.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.08 -49.84 75.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 177.2 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.58 -49.38 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.522 179.465 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 50.1 mt-10 -59.27 -51.63 69.15 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 123.697 0.623 . . . . 0.0 110.944 178.597 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.62 -44.91 90.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 123.146 0.578 . . . . 0.0 111.783 -178.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -67.14 -41.5 86.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -178.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.8 ttpt -56.9 -46.92 81.59 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 124.735 1.214 . . . . 0.0 109.294 173.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -66.87 -37.01 83.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -178.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.48 -36.46 78.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.415 174.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.14 -44.95 62.32 Favored 'General case' 0 N--CA 1.426 -1.675 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.986 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.4 mt -58.29 -40.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.414 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.45 -32.97 74.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.049 177.175 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.78 -50.45 35.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.958 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.0 t -61.37 -34.24 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-O 121.388 0.613 . . . . 0.0 110.521 177.217 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -50.41 57.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.12 -19.24 64.26 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 123.358 0.411 . . . . 0.0 111.598 -177.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -54.46 -41.09 69.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 174.143 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.23 37.98 0.13 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.411 -178.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 16.6 mt -83.74 149.48 26.43 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 121.745 0.783 . . . . 0.0 111.516 178.005 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.7 m-20 -74.28 161.44 29.9 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 174.145 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -59.75 -39.54 85.12 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.593 0.711 . . . . 0.0 109.648 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.1 m-20 -65.37 -27.05 68.3 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.54 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 34.1 mmtp -75.7 -46.21 32.52 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -177.166 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.21 -43.79 86.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 123.892 0.745 . . . . 0.0 109.648 178.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 29' ' ' ASP . 3.8 pp -69.65 -40.33 76.55 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.5 mt -69.44 -38.97 78.07 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.833 0.349 . . . . 0.0 110.558 179.035 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -64.6 -52.43 57.58 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 p -59.38 -37.54 78.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.55 -36.34 63.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.7 -44.03 52.14 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.63 -48.93 71.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.312 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.23 -38.26 86.0 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.875 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.84 -36.92 67.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.945 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.12 -42.26 90.18 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 69.5 mt -64.63 -57.25 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.248 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -51.81 -40.01 59.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 0.0 111.647 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.38 -50.72 72.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 111.128 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.88 -38.3 73.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 178.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 57.5 mtp -63.99 -41.96 97.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.349 0.595 . . . . 0.0 109.534 -179.214 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 t30 70.71 64.26 0.19 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.686 -173.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.31 133.82 52.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 CA-C-N 113.585 -1.643 . . . . 0.0 107.174 175.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 5.9 mtpm? -117.95 6.5 12.19 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.046 -172.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -108.42 105.3 14.91 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -113.95 8.16 17.11 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 122.234 1.016 . . . . 0.0 109.784 178.455 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.28 164.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.984 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -96.75 58.47 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 122.071 0.939 . . . . 0.0 110.592 177.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -142.36 86.88 1.98 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.078 -1.419 . . . . 0.0 107.571 175.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.04 157.79 35.48 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 70.67 101.75 0.06 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.169 0.918 . . . . 0.0 112.26 -176.769 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -87.22 -169.72 2.74 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.678 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -92.09 99.79 12.54 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.346 -176.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 67.41 118.98 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.705 1.602 . . . . 0.0 114.496 178.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -125.38 178.49 5.58 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -82.52 114.98 21.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 C--N 1.302 -1.488 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.184 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 CA--C 1.515 -0.385 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -104.69 98.6 8.33 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -77.57 -23.86 49.9 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -173.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 -47.35 49.83 Favored Glycine 0 C--O 1.243 0.711 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 22.5 mt-30 -66.74 -37.65 85.07 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.145 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.13 -44.87 92.07 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.71 177.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.598 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 1.1 mmmt -60.7 -39.31 88.03 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 176.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -69.45 -33.98 73.73 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.246 0.341 . . . . 0.0 110.513 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 68.0 mttm -59.43 -46.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.868 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.47 -47.13 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.717 177.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 28.1 mm-40 -55.8 -50.26 70.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.69 0.619 . . . . 0.0 110.386 177.327 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -57.72 -48.4 79.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.434 0.458 . . . . 0.0 111.445 177.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -65.85 -44.01 86.74 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.463 0.477 . . . . 0.0 110.786 -176.602 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.532 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.9 ttpt -55.04 -51.66 65.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 125.089 1.356 . . . . 0.0 108.613 174.665 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.3 mtpm? -63.06 -39.72 95.57 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.837 -179.729 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -57.81 -45.37 86.2 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.268 0.556 . . . . 0.0 110.062 175.686 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -42.95 90.04 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.145 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 14' ' ' LYS . 81.0 mt -59.01 -41.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 27.3 mt-30 -62.53 -32.51 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.638 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 98.0 mt -72.52 -50.19 27.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.5 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.2 m -63.21 -26.35 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.814 175.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.35 66.47 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.341 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -71.97 -6.97 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 111.34 -179.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 34.6 t-80 -67.81 -28.71 67.81 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 171.561 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.92 44.7 0.29 Allowed Glycine 0 N--CA 1.431 -1.655 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.094 178.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.0 mt -86.9 156.41 19.84 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.054 175.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.472 ' O ' HG22 ' B' ' 31' ' ' VAL . 16.5 m-20 -67.81 157.78 33.99 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 169.461 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.603 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.2 t-80 -61.06 -35.74 77.73 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.22 -41.0 96.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.056 176.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.9 mmtm -61.94 -44.1 97.48 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.688 178.424 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 27' ' ' ASP . 26.5 t -60.12 -43.84 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 76.3 mt -62.54 -46.01 90.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.207 179.114 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -36.85 76.38 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -68.54 -49.16 61.66 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 ptm180 -67.09 -35.55 80.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.503 -178.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.79 -46.54 62.68 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.26 -40.93 83.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.763 179.04 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.79 -47.66 76.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.35 177.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' B' ' 40' ' ' LYS . 11.3 mptt -69.48 -32.76 71.86 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.9 -42.35 77.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.37 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.93 -50.19 50.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.649 179.61 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.93 -25.91 65.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 111.767 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.18 -55.15 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 175.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.76 -27.21 63.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.868 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.06 -12.93 61.96 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.984 176.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t30 67.39 19.99 10.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.545 173.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.413 ' HB ' ' C ' ' B' ' 62' ' ' HIS . 17.6 m -88.82 115.17 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.632 0 CA-C-O 122.433 1.111 . . . . 0.0 109.195 -179.274 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.482 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 3.4 mmmp? -97.06 110.12 22.73 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.754 -172.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.412 ' HB2' ' CE1' ' B' ' 61' ' ' HIS . 3.9 t70 -46.99 105.02 0.06 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.914 168.524 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -102.83 16.02 27.72 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.446 -172.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.38 172.44 15.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.659 -175.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -116.21 89.65 3.16 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.031 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -130.69 143.14 50.54 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 -172.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.78 172.3 9.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 6.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -59.45 -40.3 86.42 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 168.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -110.28 93.54 4.55 Favored 'General case' 0 N--CA 1.414 -2.258 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -110.05 163.93 13.1 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.786 -175.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.0 m80 68.39 89.9 0.1 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.627 1.204 . . . . 0.0 108.64 -174.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' B' ' 50' ' ' ASP . 28.9 p80 -116.84 -172.87 2.28 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.097 -174.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . 0.413 ' C ' ' HB ' ' B' ' 48' ' ' VAL . 43.3 p-80 . . . . . 0 N--CA 1.431 -1.393 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 CA--C 1.513 -0.47 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.17 83.97 0.07 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 124.806 1.242 . . . . 0.0 112.518 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.459 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 22.1 mmt -69.48 -14.36 62.84 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.336 -175.536 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.71 -50.94 33.0 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 176.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.09 -38.3 82.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.49 -46.2 90.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.004 177.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.5 OUTLIER -60.99 -40.16 92.4 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 177.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.17 -35.63 80.98 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.379 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.81 -45.13 87.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.159 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -55.32 -47.5 77.83 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.214 174.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 38.0 mm-40 -55.19 -52.98 61.58 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 123.65 0.594 . . . . 0.0 110.887 177.537 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.91 -47.64 84.27 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 123.438 0.461 . . . . 0.0 111.999 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -38.93 81.43 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -175.287 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.7 ttpt -59.85 -48.85 80.03 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 124.381 1.072 . . . . 0.0 109.026 174.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 28.9 mtpp -64.04 -42.79 96.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 42.2 mt-10 -56.78 -39.63 74.41 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 0.0 109.751 175.609 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.56 -46.12 67.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.482 179.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 14' ' ' LYS . 87.5 mt -55.03 -42.37 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -178.724 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 91.8 mt-30 -62.19 -38.41 89.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.343 178.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 97.3 mt -70.04 -46.93 63.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.61 ' O ' HD12 ' A' ' 26' ' ' LEU . 21.9 t -62.22 -41.43 91.39 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.975 174.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.97 -51.73 68.42 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.518 0.727 . . . . 0.0 111.848 -179.296 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -64.87 -18.32 65.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.43 -177.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 40.1 t-80 -58.64 -30.91 67.66 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.661 0.601 . . . . 0.0 111.132 176.284 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.05 0.41 0.18 Allowed Glycine 0 C--O 1.227 -0.306 0 C-N-CA 119.079 -1.534 . . . . 0.0 113.973 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 21' ' ' VAL . 9.6 mp -66.03 161.93 20.54 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 121.59 0.71 . . . . 0.0 112.089 177.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' HG21 ' A' ' 31' ' ' VAL . 21.6 m-20 -107.02 175.29 5.55 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.019 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 7.7 p80 -54.31 -47.71 72.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.678 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 p-10 -58.7 -38.78 79.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -68.1 -39.56 82.79 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.619 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 27' ' ' ASP . 44.4 t -64.43 -41.77 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 88.7 mt -61.37 -50.93 70.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.621 177.148 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 95.8 mt -60.11 -46.6 89.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.126 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.04 -51.85 66.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 p -62.69 -38.67 91.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -72.75 -37.95 67.53 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.586 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.69 -40.38 72.94 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.9 -42.64 99.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.219 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.48 -44.41 97.15 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.184 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.29 -38.25 90.39 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.14 -41.36 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.129 0.49 . . . . 0.0 110.063 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.63 -45.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.217 177.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -59.42 -29.12 67.52 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.051 178.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.45 -49.73 62.36 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 123.742 0.817 . . . . 0.0 111.138 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -77.07 -33.23 57.16 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.16 -31.03 63.99 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.577 0.703 . . . . 0.0 109.617 177.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.48 -170.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -84.03 120.14 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.337 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 178.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -111.55 111.8 23.07 Favored 'General case' 0 N--CA 1.386 -3.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.679 -179.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' OD2' HG21 ' A' ' 52' ' ' VAL . 27.4 t70 -61.1 119.61 8.68 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 103.907 -2.627 . . . . 0.0 103.907 167.031 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.365 42.3 pttt -64.29 12.41 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 119.45 3.13 . . . . 0.0 119.45 -164.465 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.402 HG21 ' OD2' ' A' ' 50' ' ' ASP . 33.2 m -107.37 -11.81 10.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 171.363 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -85.4 121.14 27.69 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -75.46 -170.76 1.31 Allowed 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 123.854 0.861 . . . . 0.0 111.953 -174.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -90.7 105.61 17.94 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.23 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.601 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -52.05 -34.5 43.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -86.2 -8.26 57.94 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.503 0.668 . . . . 0.0 110.116 -175.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -81.92 -24.26 35.74 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 172.316 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m80 70.37 -70.93 0.14 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 125.316 1.447 . . . . 0.0 109.134 -177.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -146.24 -61.65 0.31 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 176.285 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.711 0.291 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.81 115.82 25.54 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -176.348 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp -83.94 0.6 47.23 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.66 -173.38 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.39 -36.65 84.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.92 -32.4 69.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.264 0.554 . . . . 0.0 110.265 177.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.86 -47.04 76.25 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -34.85 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.65 -40.48 97.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.789 177.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.72 -36.75 76.17 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.166 176.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.79 -51.62 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 37.3 mm-40 -56.54 -50.37 72.08 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.652 0.595 . . . . 0.0 110.217 176.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -55.26 -47.57 75.27 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.181 0.593 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.74 -41.77 78.52 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 123.627 0.579 . . . . 0.0 110.129 -175.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.1 ttpt -56.25 -50.23 71.91 Favored 'General case' 0 C--O 1.21 -0.974 0 C-N-CA 124.228 1.011 . . . . 0.0 108.734 174.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD13 ' B' ' 18' ' ' ILE . 28.9 mtpp -63.81 -36.28 83.38 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.316 0.646 . . . . 0.0 112.005 -179.159 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.43 -45.04 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 109.31 174.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.421 ' C ' HD12 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -67.46 -42.67 82.65 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.739 -179.307 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.4 mt -56.91 -40.17 70.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 -178.269 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.87 -36.38 83.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.36 -51.81 57.94 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 177.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.536 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 16.8 t -62.1 -32.26 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 CA-C-O 121.6 0.714 . . . . 0.0 110.477 175.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.43 -48.91 68.49 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.675 179.164 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -69.5 -8.43 46.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.971 0.508 . . . . 0.0 112.042 -178.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.536 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 11.0 t-80 -63.38 -43.85 96.42 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 171.803 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.6 39.41 0.08 OUTLIER Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 120.388 -0.911 . . . . 0.0 111.834 -178.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.7 mt -85.81 148.83 25.64 Favored 'General case' 0 CA--C 1.479 -1.778 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.698 176.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 158.56 28.88 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 172.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.549 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 42.7 m-70 -59.8 -33.64 72.0 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.09 -33.91 65.88 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.144 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 63.1 mmtt -62.72 -41.44 99.16 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.73 178.101 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.6 -42.38 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 87.4 mt -64.2 -48.41 76.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.041 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.63 -41.44 88.32 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 76.0 t80 -62.16 -50.67 70.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -57.52 -43.25 84.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.354 0.409 . . . . 0.0 111.968 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 14.0 ptm180 -79.53 -19.82 48.64 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.412 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.47 -35.0 23.29 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.533 179.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.515 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 6.9 tt -72.38 -32.94 66.85 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.045 -0.979 . . . . 0.0 108.566 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.17 -44.5 95.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.96 177.191 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.3 mttp -53.46 -47.3 69.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.319 177.152 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -48.72 80.55 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.152 -175.643 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.1 mt -61.07 -56.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.216 -179.194 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -52.93 -40.45 63.63 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 123.74 0.65 . . . . 0.0 110.755 -179.115 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.695 ' HA ' ' O ' ' B' ' 48' ' ' VAL . 23.7 ttmm -56.68 -49.55 74.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.407 ' HB3' HD23 ' A' ' 26' ' ' LEU . 41.4 m-85 -79.86 -20.67 45.39 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -178.079 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 80.5 mtp -66.24 -48.4 70.64 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.139 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -174.89 -11.7 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.695 ' O ' ' HA ' ' B' ' 44' ' ' LYS . 22.1 t -95.78 70.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 CA-C-O 123.089 1.423 . . . . 0.0 107.899 -175.352 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -116.75 -5.11 11.58 Favored 'General case' 0 C--N 1.266 -3.043 0 CA-C-N 112.984 -1.916 . . . . 0.0 114.307 -166.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -109.83 78.8 1.15 Allowed 'General case' 0 C--N 1.273 -2.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 112.189 -174.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt 45.4 23.31 0.12 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 127.39 2.276 . . . . 0.0 115.611 177.487 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.63 129.46 63.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.11 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -90.69 -42.26 10.83 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -84.83 121.12 27.25 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.883 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.565 HD11 ' O ' ' B' ' 55' ' ' LEU . 4.3 pp -83.11 119.7 24.84 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 173.046 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.29 72.7 1.85 Allowed 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 122.368 1.08 . . . . 0.0 109.742 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -145.51 94.83 2.56 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.86 -1.973 . . . . 0.0 106.37 178.253 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -111.0 121.96 46.68 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.221 -177.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -83.67 108.19 16.59 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -87.98 125.4 34.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.092 0.472 . . . . 0.0 110.394 176.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -102.2 -33.14 9.76 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.707 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.306 -1.324 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.255 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtm . . . . . 0 CA--C 1.512 -0.496 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.44 111.12 18.76 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.59 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.3 mtp -84.27 -16.73 42.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.594 -174.501 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.35 -48.4 58.33 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 178.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.56 -36.07 79.58 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.982 0.513 . . . . 0.0 110.327 175.471 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.68 -47.62 80.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 4.0 mmmt -63.2 -36.78 84.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.45 177.391 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.965 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -68.71 -34.97 76.54 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 175.289 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.95 -47.19 94.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 176.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 27.5 mm-40 -55.47 -47.71 75.67 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.639 0.587 . . . . 0.0 110.211 175.52 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.01 -46.44 89.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.576 -179.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -69.27 -38.5 78.43 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.89 0.376 . . . . 0.0 110.615 -176.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -54.46 -52.44 61.84 Favored 'General case' 0 C--O 1.216 -0.691 0 C-N-CA 124.967 1.307 . . . . 0.0 108.532 174.148 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HA ' HD13 ' A' ' 18' ' ' ILE . 27.5 mtpp -62.87 -39.45 94.47 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.319 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 8.1 mm-40 -55.22 -47.89 74.69 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 174.671 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.34 -43.76 85.17 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.581 179.291 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 14' ' ' LYS . 80.3 mt -55.57 -38.58 50.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.401 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 44.4 mt-30 -58.88 -42.65 90.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.309 176.079 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 16' ' ' GLU . 2.6 mm? -67.22 -45.6 76.34 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.024 178.388 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.577 ' O ' HD12 ' A' ' 26' ' ' LEU . 17.7 t -64.05 -39.3 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.087 177.823 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -46.68 81.79 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 122.814 0.446 . . . . 0.0 111.953 -178.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 14.9 ptm180 -65.85 -18.43 65.33 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.687 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.7 t-80 -57.7 -35.03 70.07 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 174.643 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.56 6.5 0.61 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.485 -1.34 . . . . 0.0 114.768 178.235 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -57.17 149.77 19.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 178.015 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' HG22 ' A' ' 31' ' ' VAL . 4.9 m-20 -73.78 174.06 8.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.203 176.015 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -65.37 -42.27 92.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -69.48 -32.77 71.88 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.423 -178.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 43.4 mmtm -62.88 -43.3 99.16 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 27' ' ' ASP . 48.9 t -63.67 -37.69 80.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.76 -50.14 63.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.487 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.7 -45.43 92.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.06 -51.13 69.22 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.885 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -62.05 -40.68 96.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 13.9 ptm180 -74.19 -32.61 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.173 -178.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.82 -44.48 61.42 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 42' ' ' ILE . 22.1 tp -56.63 -45.51 81.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.97 177.111 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -60.48 -41.47 94.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.887 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 67.4 mttm -66.94 -42.73 84.79 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.444 178.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.19 -44.12 87.89 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.682 ' O ' ' HG3' ' A' ' 46' ' ' MET . 61.4 mt -62.77 -56.81 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.479 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -52.86 -33.73 51.12 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 122.887 0.475 . . . . 0.0 112.258 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -59.4 -49.95 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.506 0.722 . . . . 0.0 110.33 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' HB3' HD23 ' B' ' 26' ' ' LEU . 33.6 m-85 -78.72 -30.02 45.67 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.496 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.682 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.7 mtp -67.49 -27.58 67.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.211 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 65.99 71.86 0.41 Allowed 'General case' 0 C--O 1.245 0.853 0 C-N-CA 124.769 1.228 . . . . 0.0 109.11 -175.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.29 140.62 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.368 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -141.15 74.36 1.46 Allowed 'General case' 0 C--N 1.28 -2.435 0 CA-C-O 122.187 0.994 . . . . 0.0 109.747 -177.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 52' ' ' VAL . 7.5 m-20 -107.09 159.87 15.98 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.948 -177.685 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -100.27 -0.62 38.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.398 0.618 . . . . 0.0 110.502 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.4 HG23 ' HB3' ' A' ' 50' ' ' ASP . 26.6 m -86.89 110.31 20.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.156 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.295 -179.101 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -80.38 113.32 18.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 175.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.29 93.58 2.39 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.51 79.53 8.92 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.971 1.367 . . . . 0.0 109.906 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.69 -40.24 63.78 Favored 'General case' 0 C--N 1.273 -2.753 0 CA-C-N 112.216 -2.266 . . . . 0.0 108.175 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -119.25 104.09 10.09 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.396 176.765 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -161.9 -59.9 0.05 OUTLIER 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.036 -179.172 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -92.28 94.6 9.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 -177.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -100.52 -64.56 1.03 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.347 179.402 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -154.14 133.82 12.91 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.167 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.0 m170 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 175.313 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 CA--C 1.496 -1.103 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -76.81 99.04 5.01 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.443 0.639 . . . . 0.0 109.925 179.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptm -72.89 -15.29 61.59 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.543 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.9 91.01 Favored Glycine 0 C--O 1.222 -0.603 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.643 178.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 27.3 mt-30 -77.89 -23.08 48.85 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.282 0.563 . . . . 0.0 110.051 179.27 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.9 -46.87 50.32 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 174.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -60.84 -39.69 90.02 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.258 175.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.32 -41.23 84.1 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 123.566 0.542 . . . . 0.0 110.664 178.123 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 62.1 mttp -69.3 -39.14 78.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.518 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.78 -51.29 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -58.0 -52.54 65.08 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.396 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -56.09 -49.99 72.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.12 0.968 . . . . 0.0 112.518 -178.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.48 -39.8 77.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.551 -176.424 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.57 -50.04 74.41 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 123.825 0.85 . . . . 0.0 108.863 173.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -58.45 -39.52 80.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.688 0.795 . . . . 0.0 112.227 179.024 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -64.22 -39.83 94.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.679 0.276 . . . . 0.0 111.425 175.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -44.78 83.58 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 176.702 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.3 mt -57.97 -42.15 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.624 179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.97 -24.91 67.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.711 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.5 -51.26 8.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.945 178.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.442 HG22 ' CE2' ' B' ' 34' ' ' PHE . 11.9 m -62.82 -28.97 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.304 176.018 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.08 -42.28 94.27 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.556 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -79.25 -7.19 58.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.42 ' CD2' ' HE3' ' A' ' 46' ' ' MET . 54.4 t-80 -67.48 -29.55 69.02 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.751 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.52 -11.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.762 -1.208 . . . . 0.0 113.207 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.66 140.16 36.41 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.515 ' O ' HG22 ' B' ' 31' ' ' VAL . 13.2 m-20 -79.19 165.53 23.18 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 113.567 -1.651 . . . . 0.0 106.651 175.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.462 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.3 t-80 -54.37 -43.88 71.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.125 0.488 . . . . 0.0 110.643 178.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.64 -41.03 98.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.474 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 32.9 mmtm -56.87 -46.06 82.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.958 176.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG22 ' O ' ' B' ' 27' ' ' ASP . 54.7 t -60.59 -44.14 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.128 -178.1 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.2 mt -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' B' ' 21' ' ' VAL . 86.2 t80 -58.7 -52.14 66.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 p -59.32 -41.2 88.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 12.0 ptm180 -76.77 -33.83 58.04 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.74 -178.218 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.07 -39.93 75.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.253 1.025 . . . . 0.0 108.594 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.66 -36.48 83.79 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.717 176.748 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.55 -47.68 82.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.8 mtpt -54.95 -42.83 72.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.277 177.517 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.99 -42.42 99.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.614 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.3 mt -66.11 -50.0 72.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.02 -33.31 56.89 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.342 1.057 . . . . 0.0 111.767 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.28 -51.81 67.35 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.471 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -77.04 -26.2 53.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.614 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.9 mtp -77.81 -19.66 54.59 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 175.508 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 64.3 t30 64.71 63.29 0.73 Allowed 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 125.855 1.662 . . . . 0.0 110.843 -175.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.29 99.75 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -109.59 -8.65 14.95 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -119.56 108.9 15.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.83 -175.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -146.13 21.78 1.39 Allowed 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.916 173.678 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.74 173.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.624 -175.719 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -55.49 -44.06 76.18 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.307 0.643 . . . . 0.0 112.6 -179.278 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -162.87 137.45 6.45 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.099 -176.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.6 121.21 26.52 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 172.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 82.97 1.71 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.452 0.644 . . . . 0.0 112.613 -175.272 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.72 166.19 12.73 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.908 177.23 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 72.73 30.82 1.74 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 123.061 1.41 . . . . 0.0 108.501 -175.046 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -88.89 -15.86 33.35 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.586 178.127 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -90.08 135.86 33.4 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.939 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -117.1 114.23 23.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 176.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 . . . . . 0 C--N 1.286 -2.182 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.928 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 120.809 0.338 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.55 ' OE1' ' HG3' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -98.31 119.19 36.55 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -177.086 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptp -66.01 -30.77 71.37 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -173.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.72 -42.53 79.38 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.76 -177.663 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.55 ' HG3' ' OE1' ' A' ' 2' ' ' GLU . 46.1 mt-30 -69.22 -29.28 67.2 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.897 -0.178 . . . . 0.0 111.207 177.409 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.65 -47.21 84.71 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.733 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HE2' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.96 -40.14 94.55 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.161 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -60.37 -40.48 90.94 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.182 0.593 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.98 -39.54 83.29 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.663 176.594 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' B' ' 20' ' ' LEU . 82.7 mt -56.65 -45.33 82.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 172.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 8.0 mm-40 -57.44 -52.35 65.75 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 123.721 0.638 . . . . 0.0 109.676 176.919 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 6.5 t30 -58.11 -45.72 86.77 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.174 -179.445 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.88 -43.36 79.55 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.655 0.782 . . . . 0.0 110.961 -176.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' O ' HG13 ' A' ' 18' ' ' ILE . 35.1 ttpt -55.1 -49.96 70.38 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.102 1.361 . . . . 0.0 108.811 175.449 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -64.47 -40.17 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' HD21 ' A' ' 20' ' ' LEU . 47.3 mt-10 -55.64 -44.91 77.58 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 109.577 175.112 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -42.88 81.03 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.867 -178.143 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 14' ' ' LYS . 68.6 mt -57.84 -39.33 70.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.137 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 88.7 mt-30 -62.09 -41.29 98.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.079 177.177 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 16' ' ' GLU . 1.2 mm? -62.64 -49.95 73.13 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.725 176.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.553 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.7 m -66.72 -32.15 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 118.943 -1.103 . . . . 0.0 111.808 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.93 82.84 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.082 -0.386 . . . . 0.0 111.82 -178.088 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -75.79 -18.74 59.4 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.264 178.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 39.9 t-80 -56.73 -46.7 81.17 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.02 0.438 . . . . 0.0 110.2 176.255 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 6.56 0.08 OUTLIER Glycine 0 N--CA 1.434 -1.484 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.512 -178.075 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.58 0.705 . . . . 0.0 112.453 173.744 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' HG21 ' A' ' 31' ' ' VAL . 3.7 m-20 -73.68 171.14 13.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.713 178.432 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -60.14 -47.06 87.5 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.337 0.589 . . . . 0.0 110.194 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 6.6 p-10 -64.2 -34.44 78.09 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.1 -44.05 93.49 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.506 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 27' ' ' ASP . 46.6 t -61.16 -40.38 85.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.64 -54.36 28.74 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.298 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.5 mt -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.172 -177.253 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.86 -50.42 70.98 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 123.572 0.545 . . . . 0.0 110.495 178.398 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -59.66 -37.24 78.2 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.685 0.279 . . . . 0.0 111.517 -178.714 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -66.99 -50.35 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.288 0.635 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.06 -41.84 77.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.968 -176.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.45 -48.77 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.8 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.52 -43.43 98.88 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.077 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.99 -39.98 96.38 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 124.252 1.021 . . . . 0.0 110.964 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.81 -40.67 95.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.553 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.6 mt -65.58 -54.0 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.721 179.162 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -55.05 -34.9 63.94 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.43 -49.73 76.66 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.381 0.61 . . . . 0.0 109.908 177.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.65 -33.21 53.53 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.45 -178.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 27.3 mtp -74.13 -24.55 59.44 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.282 0.563 . . . . 0.0 110.007 -179.63 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.1 t30 69.88 14.42 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.667 1.187 . . . . 0.0 110.196 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.5 m -82.44 115.24 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 122.377 1.084 . . . . 0.0 110.319 -179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -133.93 14.06 3.96 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.855 -176.612 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' OD2' HG23 ' A' ' 52' ' ' VAL . 8.0 p-10 -123.66 154.86 38.78 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.341 -176.685 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -129.44 43.58 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.756 0.788 . . . . 0.0 109.973 -177.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG23 ' OD2' ' A' ' 50' ' ' ASP . 32.7 m -80.2 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.946 -177.141 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -65.94 -43.57 87.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.169 0.985 . . . . 0.0 108.589 175.581 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -133.14 113.24 12.5 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 173.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -83.12 91.98 7.33 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.782 -174.273 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -42.81 33.01 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 172.367 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' HIS . 90.3 m-70 -95.06 105.11 17.0 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 173.589 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -94.54 -40.75 9.7 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -172.09 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -79.09 -63.01 1.52 Allowed 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 57' ' ' HIS . 44.5 m170 -141.39 161.39 38.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.396 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.49 144.09 36.04 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.721 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 . . . . . 0 C--N 1.295 -1.799 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.942 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 120.437 0.16 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.441 ' OE2' ' HG3' ' B' ' 5' ' ' GLN . 1.1 tm-20 -75.88 110.77 10.6 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.018 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.6 mtm -117.07 23.86 11.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 -179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 -39.13 41.85 Favored Glycine 0 N--CA 1.44 -1.036 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.441 ' HG3' ' OE2' ' B' ' 2' ' ' GLU . 27.6 mt-30 -74.47 -33.81 62.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.317 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.18 -46.81 87.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.034 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.451 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 2.9 mmmt -64.19 -34.21 77.55 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.044 176.318 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -66.03 -32.31 73.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.066 0.46 . . . . 0.0 109.904 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.79 -42.55 73.62 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.263 173.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 20' ' ' LEU . 77.9 mt -59.81 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.409 177.214 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 22.6 mm-40 -56.81 -46.07 81.83 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.825 176.784 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.01 -45.04 94.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.8 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -67.54 -42.9 81.96 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 123.236 0.335 . . . . 0.0 110.491 -177.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -54.43 -51.12 65.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.639 1.176 . . . . 0.0 108.611 175.155 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.38 -36.63 82.9 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.5 -43.91 97.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.235 0.541 . . . . 0.0 109.838 175.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.431 ' CD2' HG22 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -67.06 -44.39 80.24 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.942 -178.837 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 65.4 mt -58.07 -40.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.526 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.46 -37.41 85.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.209 177.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.3 mp -65.7 -54.4 27.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 177.336 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 10.1 m -61.66 -28.95 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.612 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.77 70.92 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -73.1 -8.99 58.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.563 -178.334 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.7 t-80 -61.06 -38.7 87.12 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 37.71 0.1 OUTLIER Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.863 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.1 mt -84.67 147.84 26.72 Favored 'General case' 0 CA--C 1.478 -1.799 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.901 177.328 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.427 ' O ' HG22 ' B' ' 31' ' ' VAL . 10.0 m-20 -74.93 160.5 30.52 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 173.102 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.7 t-80 -51.72 -42.93 62.63 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.583 0.552 . . . . 0.0 110.58 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.57 -38.32 89.2 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.5 mmtt -62.11 -45.48 93.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.236 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 27' ' ' ASP . 28.4 t -60.26 -41.43 86.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.637 178.903 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.9 mt -64.92 -55.69 17.78 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.03 179.458 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.71 -36.5 78.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.478 -177.277 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.16 -51.7 50.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 177.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.6 p -62.3 -35.79 80.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.4 mtt180 -64.96 -52.85 54.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.22 177.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.57 -44.68 96.59 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.094 -177.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.4 -45.31 91.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.246 178.005 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.38 -45.37 93.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.187 0.518 . . . . 0.0 109.855 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.0 mtpp -63.19 -48.85 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.641 178.562 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.46 -44.9 85.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.665 0.786 . . . . 0.0 110.974 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.712 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.7 mt -62.49 -59.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.593 179.383 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.39 -34.32 66.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.509 0.506 . . . . 0.0 111.901 -177.635 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.15 -51.87 67.58 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.444 0.698 . . . . 0.0 110.157 177.362 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.98 -33.36 70.35 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.688 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.712 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 58.6 mtp -64.73 -30.88 71.91 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.495 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 75.19 21.75 1.85 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.227 1.411 . . . . 0.0 110.265 177.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 20.2 m -114.76 130.35 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -90.95 81.93 5.65 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 121.737 0.78 . . . . 0.0 113.012 -172.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.651 ' CG ' ' H ' ' B' ' 51' ' ' LYS . 34.7 t70 58.51 -168.52 0.13 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 113.02 -1.9 . . . . 0.0 113.327 175.056 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.651 ' H ' ' CG ' ' B' ' 50' ' ' ASP . 9.1 ptpp? -89.29 11.26 19.47 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 124.897 1.279 . . . . 0.0 111.231 -174.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.5 m -83.98 84.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-O 122.399 1.095 . . . . 0.0 110.645 178.573 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -141.02 -179.37 6.05 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.309 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -64.66 161.53 17.55 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 123.467 0.479 . . . . 0.0 109.768 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.03 136.44 46.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.69 125.28 23.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -177.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -71.74 109.28 5.53 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.323 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -106.85 -2.95 20.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.881 -178.368 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -108.33 109.97 21.42 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.917 0.389 . . . . 0.0 111.873 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -131.46 -54.79 1.02 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 176.671 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 177.95 -49.74 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 177.312 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m80 . . . . . 0 C--N 1.311 -1.091 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.879 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.27 122.83 48.59 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm -64.41 -28.79 69.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.576 0.75 . . . . 0.0 112.856 -175.463 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.1 -45.86 69.17 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 177.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 19.4 mm-40 -63.07 -31.91 73.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.548 0.339 . . . . 0.0 110.961 174.58 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.72 -49.84 69.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.711 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.62 -34.47 77.1 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.853 0.358 . . . . 0.0 110.597 177.448 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -66.15 -41.22 90.68 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 123.454 0.702 . . . . 0.0 109.343 179.576 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.9 mmtm -65.97 -34.76 78.84 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 175.872 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.99 -46.84 92.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.873 175.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 38.7 mm-40 -57.66 -47.27 82.75 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.475 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.72 -53.49 51.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 124.787 1.235 . . . . 0.0 111.497 179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -68.77 -40.02 79.93 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 -175.134 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.1 ttpt -57.81 -49.8 75.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.175 0.99 . . . . 0.0 109.192 175.766 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -65.57 -36.07 82.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.577 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.1 mt-10 -59.29 -44.21 92.5 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 174.054 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.77 -42.45 77.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.714 -178.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -58.57 -43.45 87.21 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.016 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.54 -32.68 73.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.908 177.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.0 mt -69.44 -52.02 30.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.281 177.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.541 ' O ' HD12 ' A' ' 26' ' ' LEU . 12.1 m -62.99 -32.38 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.492 175.62 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.95 -46.16 89.04 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 123.062 0.545 . . . . 0.0 111.72 -179.293 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.1 ptp180 -68.92 -18.3 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.868 -179.305 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.5 t-80 -59.28 -32.94 70.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.007 0.523 . . . . 0.0 110.807 175.512 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.69 -13.98 0.51 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.504 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -52.72 141.01 22.12 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' HG21 ' A' ' 31' ' ' VAL . 5.3 m-20 -80.39 171.04 15.57 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 177.146 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 23.4 t-80 -64.98 -36.08 83.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.156 0.434 . . . . 0.0 110.542 -178.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.9 p-10 -62.61 -37.63 87.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 178.711 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -65.38 -41.03 94.17 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.938 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 27' ' ' ASP . 62.1 t -65.2 -39.55 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.691 -179.133 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 mt -62.95 -47.62 82.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 176.462 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 72.8 mt -64.35 -43.7 93.75 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 123.483 0.489 . . . . 0.0 111.265 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.86 -49.16 69.14 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.139 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -60.29 -41.13 92.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.401 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -70.13 -40.64 74.71 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.752 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -74.35 -38.23 63.28 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.125 -179.019 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.05 -45.82 93.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.792 176.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.5 -49.27 76.85 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.593 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.6 -33.4 75.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.814 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.39 -40.59 93.66 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.3 mt -66.48 -53.13 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.853 177.788 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.57 -38.66 60.4 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.367 0.667 . . . . 0.0 110.634 178.123 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -58.03 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.818 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -85.18 -35.63 21.55 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 54.5 mtp -66.29 -28.8 68.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 81.66 -12.01 1.01 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.764 2.026 . . . . 0.0 110.558 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' H ' ' C ' ' A' ' 46' ' ' MET . 16.1 m -94.78 104.55 15.93 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.767 1.27 . . . . 0.0 108.891 175.017 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -113.05 30.62 7.04 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.53 -175.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 70.92 125.65 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 126.425 1.89 . . . . 0.0 110.743 -175.842 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -123.92 14.99 9.28 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.199 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.8 m -106.24 -38.12 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.704 -175.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -134.44 77.01 1.67 Allowed 'General case' 0 CA--C 1.491 -1.308 0 CA-C-O 121.703 0.763 . . . . 0.0 110.761 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -96.78 111.47 23.63 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 130.89 40.54 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 172.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.0 -40.82 67.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.021 0.826 . . . . 0.0 112.081 -174.536 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -96.9 -66.88 0.88 Allowed 'General case' 0 N--CA 1.426 -1.65 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.854 176.04 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 58.78 67.77 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -175.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -106.03 111.49 24.14 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.934 -177.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -136.1 125.2 24.43 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.041 -178.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -95.06 -12.95 25.65 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 174.803 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 . . . . . 0 N--CA 1.427 -1.592 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 177.89 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 CA--C 1.497 -1.088 0 CA-C-O 121.287 0.565 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -142.69 -160.63 1.12 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt 72.27 0.77 3.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.793 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.66 -40.16 85.89 Favored Glycine 0 N--CA 1.434 -1.476 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 24.3 pt20 -76.37 -20.23 57.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.411 0.624 . . . . 0.0 110.73 177.198 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -74.49 -47.49 32.86 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.508 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 6.5 mmmt -61.46 -35.49 77.77 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.806 174.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 16.1 t-20 -55.04 -50.18 69.73 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.01 176.415 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.93 -35.5 76.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.424 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.36 -51.46 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 123.558 0.536 . . . . 0.0 110.723 176.496 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.1 mm-40 -57.88 -47.84 81.6 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 123.653 0.595 . . . . 0.0 110.905 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.37 -43.46 90.71 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -64.45 -43.44 94.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.259 0.552 . . . . 0.0 109.763 -178.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.524 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.1 ttpt -54.12 -52.01 62.4 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.119 1.368 . . . . 0.0 108.906 174.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.6 mtpm? -60.76 -44.5 96.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.562 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -56.19 -40.03 73.33 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.922 0.392 . . . . 0.0 110.463 176.723 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.405 ' C ' HD12 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -69.36 -44.11 72.25 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.421 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.524 HG13 ' O ' ' B' ' 14' ' ' LYS . 74.6 mt -58.24 -41.73 81.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.743 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 23.9 mt-30 -60.33 -37.48 80.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.17 177.468 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 91.0 mt -68.13 -51.52 45.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.548 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.3 m -63.53 -28.89 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.994 176.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.17 -38.05 72.17 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -81.32 0.25 37.92 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.731 178.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.0 t-80 -69.27 -34.0 74.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 167.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.59 46.59 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.602 177.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.9 mt -89.63 144.51 25.94 Favored 'General case' 0 CA--C 1.473 -2.006 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.057 178.093 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.418 ' O ' HG22 ' B' ' 31' ' ' VAL . 30.1 m-20 -77.58 164.11 25.65 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.562 173.277 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.59 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 40.6 p-80 -50.65 -44.38 57.46 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 123.772 0.67 . . . . 0.0 112.127 -177.239 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.36 -47.08 79.62 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.741 178.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.5 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 34.2 mmtp -62.32 -42.71 99.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.436 -176.636 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 27' ' ' ASP . 12.1 t -64.42 -43.99 97.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.662 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.738 ' O ' ' HG2' ' B' ' 36' ' ' ARG . 88.7 mt -60.12 -58.29 9.18 Favored 'General case' 0 CA--C 1.492 -1.256 0 C-N-CA 123.581 0.752 . . . . 0.0 111.313 178.217 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.0 -34.19 75.73 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 123.605 0.566 . . . . 0.0 112.029 -176.512 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 89.1 t80 -72.69 -49.66 29.95 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.806 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.9 p -58.79 -40.54 84.35 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -176.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.738 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 9.6 ptm180 -68.41 -48.44 64.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 177.148 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.84 -28.13 58.13 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.131 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.12 -43.86 93.99 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 172.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.8 -43.81 97.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.616 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 66.8 mttm -63.39 -43.14 98.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.352 178.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -40.16 96.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.706 179.006 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.563 ' O ' ' HG3' ' B' ' 46' ' ' MET . 59.1 mt -64.02 -54.53 30.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.954 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -57.42 -34.29 68.77 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -54.19 -45.86 72.27 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.745 0.818 . . . . 0.0 110.095 176.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD23 ' A' ' 26' ' ' LEU . 33.5 m-85 -84.5 -23.11 29.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.809 -178.552 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 34.4 mtp -78.52 -1.33 33.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.177 0.513 . . . . 0.0 109.871 178.133 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 t30 73.4 19.52 3.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.463 1.505 . . . . 0.0 109.825 179.056 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.96 97.53 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.138 0 CA-C-O 122.428 1.109 . . . . 0.0 109.149 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 51' ' ' LYS . 56.2 mtmt -132.26 28.76 4.37 Favored 'General case' 0 C--N 1.273 -2.76 0 CA-C-N 113.595 -1.639 . . . . 0.0 107.894 -178.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.43 35.45 0.5 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.776 -175.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' B' ' 49' ' ' LYS . 14.8 ptmm? -87.54 26.52 1.25 Allowed 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 124.716 1.207 . . . . 0.0 109.308 178.804 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -86.98 171.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.678 -176.704 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -109.81 178.17 4.5 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 176.461 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -77.3 101.47 6.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.84 165.91 11.71 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.972 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -81.36 11.15 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 38.9 m80 64.79 -90.46 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.593 1.157 . . . . 0.0 111.925 178.103 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -91.82 91.06 7.76 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.331 0.586 . . . . 0.0 109.726 175.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -67.71 -50.94 54.88 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.392 -176.824 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -155.26 -54.02 0.09 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.235 177.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 74.2 t60 65.98 -64.3 0.21 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.788 1.235 . . . . 0.0 109.749 -175.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 176.054 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -59.39 -48.32 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.926 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.7 mmmt -60.5 -35.53 76.18 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.231 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.61 -41.58 96.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.131 0.491 . . . . 0.0 109.732 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.51 -37.69 83.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.237 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.77 -49.11 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.821 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 31.3 mm-40 -54.16 -52.12 62.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 123.684 0.615 . . . . 0.0 110.698 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -56.98 -48.56 78.12 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.728 0.811 . . . . 0.0 112.41 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.99 -41.52 77.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -58.66 -46.23 87.63 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.332 1.053 . . . . 0.0 109.38 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 47.8 mttm -63.94 -41.37 97.63 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 122.818 0.447 . . . . 0.0 111.77 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.38 -37.37 72.56 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.307 0.575 . . . . 0.0 110.138 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -72.05 -44.76 62.83 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.5 mt -55.97 -40.54 63.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.2 mt-30 -58.79 -40.13 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.7 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.96 -48.79 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 17.6 t -62.46 -35.3 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-O 121.327 0.584 . . . . 0.0 110.309 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.93 56.27 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.471 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.89 -18.86 65.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 43.4 t-80 -55.63 -45.8 77.5 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.62 30.93 0.02 OUTLIER Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.358 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 57.3 mt -94.77 144.77 25.37 Favored 'General case' 0 CA--C 1.47 -2.127 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -86.14 170.74 11.91 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 173.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.684 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.4 m80 -60.49 -36.08 77.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -174.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.3 p-10 -64.65 -37.54 87.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 45.5 mmtm -67.84 -44.49 77.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.253 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.8 t -60.14 -43.95 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.31 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 67.1 mt -62.52 -45.75 91.57 Favored 'General case' 0 CA--C 1.508 -0.652 0 C-N-CA 122.5 0.32 . . . . 0.0 111.016 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 92.1 mt -64.88 -46.23 82.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.31 -52.5 64.42 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.2 p -60.17 -39.38 86.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.76 -34.46 62.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 8.7 t70 -72.39 -44.14 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.05 -44.54 78.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.505 175.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.58 -37.59 86.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.069 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -71.46 -35.54 70.89 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.102 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.2 -36.86 85.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.578 0.704 . . . . 0.0 109.327 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.432 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.6 mt -70.9 -46.98 65.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.573 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.34 -33.9 73.08 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.466 0.307 . . . . 0.0 111.457 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.689 0.757 . . . . 0.0 110.846 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.66 -27.61 25.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.575 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mmm . . . . . 0 C--N 1.304 -1.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.691 -175.804 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -63.82 -36.13 82.9 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.951 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.46 -36.31 75.73 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.009 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.77 -43.97 57.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.521 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.38 -49.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.66 0.6 . . . . 0.0 110.268 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.68 -51.62 68.79 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.722 0.638 . . . . 0.0 111.361 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 43.3 t-20 -59.88 -47.98 83.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.206 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.78 -42.48 95.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.678 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.4 ttpt -55.51 -48.43 74.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.203 1.001 . . . . 0.0 109.001 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.28 -33.1 71.17 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.464 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 45.9 mt-10 -59.58 -42.55 92.78 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 21' ' ' VAL . 12.7 tp -66.92 -49.41 65.64 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.388 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.1 mt -53.71 -45.56 61.08 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 O-C-N 123.685 0.616 . . . . 0.0 110.615 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.93 -28.69 69.12 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.409 0.443 . . . . 0.0 111.794 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 97.9 mt -78.55 -47.92 16.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.376 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.5 t -61.04 -38.11 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 121.638 0.733 . . . . 0.0 109.808 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.104 0.962 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -68.46 -14.4 62.97 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.862 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.5 t60 -67.77 -25.07 65.43 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.816 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.52 -14.51 0.45 Allowed Glycine 0 CA--C 1.494 -1.277 0 C-N-CA 118.923 -1.608 . . . . 0.0 113.022 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.41 135.53 54.06 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-O 121.845 0.831 . . . . 0.0 112.255 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.554 ' O ' HG23 ' B' ' 31' ' ' VAL . 37.9 m-20 -84.92 176.41 8.48 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.374 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.533 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 75.4 m80 -59.84 -41.13 90.73 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.37 -37.46 83.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.903 0.382 . . . . 0.0 110.07 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 62.6 mmtt -60.21 -44.52 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.556 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.0 t -63.7 -43.26 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.3 mt -61.09 -47.16 87.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.88 -51.01 68.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.29 -47.06 86.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.508 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.5 p -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -72.25 -36.42 69.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 111.566 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.5 -30.27 47.09 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.389 0.614 . . . . 0.0 109.798 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.56 -46.16 73.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -53.93 -50.56 66.18 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.653 0.739 . . . . 0.0 109.737 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' B' ' 40' ' ' LYS . 37.2 ttmt -54.21 -44.99 72.11 Favored 'General case' 0 N--CA 1.425 -1.707 0 C-N-CA 126.517 1.927 . . . . 0.0 111.93 178.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.23 -39.47 92.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.655 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.7 mt -65.3 -54.86 23.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.711 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -49.6 -39.05 34.01 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.827 0.851 . . . . 0.0 111.331 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.22 -51.23 70.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.836 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.68 -31.02 52.25 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.655 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 78.0 mtp . . . . . 0 C--N 1.321 -0.638 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 121.822 0.82 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.6 -45.66 86.01 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.684 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -61.93 -36.36 81.16 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 122.859 0.464 . . . . 0.0 111.274 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -59.33 -44.15 92.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.93 -41.21 87.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.877 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.8 mt -57.14 -50.45 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.338 0 O-C-N 123.485 0.491 . . . . 0.0 110.425 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.42 -52.4 64.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 123.694 0.621 . . . . 0.0 111.508 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 20.1 m-80 -59.1 -45.19 91.51 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -70.82 -38.48 73.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.065 0.46 . . . . 0.0 110.148 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -61.74 -47.01 87.17 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 109.662 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 61.2 mtpt -62.43 -40.43 96.55 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.767 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB2' ' HD2' ' B' ' 13' ' ' LYS . 56.5 mt-10 -58.96 -37.45 76.79 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 123.585 0.553 . . . . 0.0 109.593 175.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.6 tp -69.76 -48.14 60.39 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.842 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.5 mt -54.37 -41.1 51.43 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 O-C-N 123.508 0.505 . . . . 0.0 110.019 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 52.1 mt-30 -58.23 -43.09 87.59 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 123.589 0.556 . . . . 0.0 110.578 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' B' ' 10' ' ' ILE . 95.3 mt -66.27 -48.95 68.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' LEU . 16.5 t -64.61 -35.26 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 121.402 0.62 . . . . 0.0 110.571 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.38 60.45 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.261 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.56 -18.58 65.43 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 123.706 0.629 . . . . 0.0 111.685 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -57.47 -53.87 53.2 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.0 42.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.537 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.665 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 55.6 mt -102.18 143.97 31.31 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.886 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.723 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 2.7 p-10 -85.77 177.62 7.6 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 176.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.671 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.5 t60 -58.37 -38.21 76.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 123.539 0.524 . . . . 0.0 110.418 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.6 t70 -67.43 -39.48 85.44 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.146 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.723 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 33.3 mmtm -67.9 -43.46 79.23 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.068 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.5 t -60.54 -39.13 80.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 74.5 mt -64.93 -53.77 41.26 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.454 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 85.9 mt -60.81 -41.89 96.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.722 0.296 . . . . 0.0 111.706 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.76 -47.55 80.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.876 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -66.5 -33.01 74.73 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.897 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 33' ' ' LEU . 97.0 mtt180 -63.91 -57.28 10.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 122.757 0.423 . . . . 0.0 110.868 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.527 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.7 t70 -72.96 -33.88 66.16 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.077 -171.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.96 -35.98 69.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.096 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.2 -41.02 90.76 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.6 mtpt -58.63 -43.92 89.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.232 174.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.22 -43.38 98.26 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.512 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.664 ' O ' ' HG3' ' A' ' 46' ' ' MET . 63.0 mt -60.51 -53.24 51.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -56.17 -36.79 68.72 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -56.5 -43.66 79.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.975 0.91 . . . . 0.0 108.691 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -85.83 -28.18 24.63 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 91.4 mtp . . . . . 0 CA--C 1.496 -1.118 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.436 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 0.2 OUTLIER -64.03 -35.85 82.07 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.83 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.54 -39.6 91.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.989 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.88 -37.61 84.75 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.166 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 20' ' ' LEU . 65.1 mt -57.37 -49.41 80.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 7' ' ' LYS . 37.8 mt-10 -60.91 -43.81 98.04 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -55.8 -55.3 34.05 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.384 1.073 . . . . 0.0 111.253 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 16.1 tppt? -65.18 -44.91 86.94 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.369 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 25.5 ttpt -57.91 -43.82 86.42 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.679 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.4 mtpm? -63.11 -37.03 85.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 122.406 0.282 . . . . 0.0 111.447 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.47 -41.03 96.6 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.576 0.703 . . . . 0.0 109.879 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -66.76 -46.37 75.56 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.295 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 92.2 mt -54.31 -42.46 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 123.6 0.562 . . . . 0.0 110.111 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.6 mt-30 -63.57 -35.46 80.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.803 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.95 -49.64 35.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' B' ' 26' ' ' LEU . 23.2 t -58.65 -39.17 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -56.33 -55.77 29.27 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.322 0.649 . . . . 0.0 111.449 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -70.35 -4.33 21.71 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.437 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 30.0 t-80 -65.89 -36.85 84.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.67 6.71 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.607 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -64.12 150.71 45.03 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' B' ' 31' ' ' VAL . 11.2 m-20 -75.42 163.79 27.05 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 170.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.516 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.1 m-70 -67.68 -30.53 70.08 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.491 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 2.4 m-20 -68.87 -34.33 75.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.489 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 12.3 mmtp -62.74 -41.94 99.43 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 44.6 t -61.56 -42.69 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.258 0.551 . . . . 0.0 109.561 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 84.2 mt -65.73 -46.08 80.24 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 70.1 mt -70.45 -39.2 74.44 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.842 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -48.61 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.831 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 24.4 p -60.99 -36.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.437 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.48 -51.23 30.57 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.022 0.529 . . . . 0.0 111.34 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -64.77 -35.54 81.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.575 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tt -78.15 -31.12 49.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' B' ' 35' ' ' SER . 19.6 t70 -66.71 -41.14 88.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -61.78 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.983 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.62 -44.31 89.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.274 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.486 HD12 ' HD3' ' B' ' 14' ' ' LYS . 45.0 mt -67.01 -51.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -57.65 -30.62 65.54 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.43 -51.58 62.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.077 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -73.21 -32.07 64.56 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 92.4 mmm . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 15.9 mm-40 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.318 0.104 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.71 -45.19 95.01 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.787 0.679 . . . . 0.0 109.289 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -40.42 93.85 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.624 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.15 -35.49 80.62 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.115 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.79 94.8 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.4 -49.97 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -53.85 -52.23 61.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 123.607 0.567 . . . . 0.0 110.622 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -60.71 -43.79 97.37 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.585 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.72 -40.66 84.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.277 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -57.18 -48.68 78.15 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 124.544 1.138 . . . . 0.0 108.587 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -65.44 -35.61 81.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.277 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.27 -46.74 82.8 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.4 0.619 . . . . 0.0 109.528 170.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -45.9 80.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.68 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 14' ' ' LYS . 93.3 mt -55.03 -41.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 123.406 0.442 . . . . 0.0 110.299 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.48 -34.46 77.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.53 -47.86 37.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.639 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 18.1 t -61.83 -38.38 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.864 175.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.57 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.001 0.52 . . . . 0.0 111.857 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -66.81 -17.93 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.34 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 72.5 t60 -59.49 -32.59 70.41 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.54 -9.91 0.23 Allowed Glycine 0 CA--C 1.505 -0.573 0 C-N-CA 119.08 -1.534 . . . . 0.0 113.538 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.0 mp -63.29 147.33 51.37 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.65 0.738 . . . . 0.0 112.557 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.5 t70 -95.07 179.56 5.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 m80 -57.95 -40.5 80.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 124.656 1.182 . . . . 0.0 110.198 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.7 m-20 -74.89 -32.96 61.97 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.27 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.22 -38.97 92.08 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ASP . 99.3 t -64.7 -43.54 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 79.4 mt -60.51 -53.57 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.726 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.9 mt -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.052 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.12 -52.69 64.25 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.96 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 p -61.14 -36.09 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.8 mtp180 -66.12 -51.66 55.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.439 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.72 -34.22 75.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 42' ' ' ILE . 27.7 tp -63.39 -49.63 73.07 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.853 0.861 . . . . 0.0 110.578 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.62 -41.25 98.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.499 0.666 . . . . 0.0 109.826 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -59.34 -38.7 81.04 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 125.333 1.453 . . . . 0.0 111.186 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -69.79 -38.72 76.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.338 0.59 . . . . 0.0 109.728 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.4 mt -68.38 -55.54 15.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.986 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -53.48 -35.11 60.22 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.72 0.408 . . . . 0.0 111.015 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.95 -48.17 80.73 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 123.87 0.731 . . . . 0.0 110.507 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.466 ' O ' HD21 ' B' ' 26' ' ' LEU . 45.1 m-85 -82.28 -30.79 30.4 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 50.7 mtp . . . . . 0 C--N 1.312 -1.058 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.443 -0.8 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -32.01 71.48 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.28 -46.24 91.17 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -70.65 -31.87 68.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.0 -52.13 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 34.5 mm-40 -58.65 -48.26 81.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.462 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -58.41 -47.73 82.98 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.869 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -67.6 -39.73 84.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 110.291 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.5 ttpt -55.11 -51.38 66.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.475 1.11 . . . . 0.0 108.346 174.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.7 mtpm? -65.12 -37.61 88.01 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.581 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.3 mt-10 -56.31 -45.19 80.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.302 0.573 . . . . 0.0 109.705 174.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.401 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.09 -44.04 73.31 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.335 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.1 mt -57.76 -43.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 O-C-N 123.244 0.34 . . . . 0.0 110.092 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.39 -31.72 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.763 0.316 . . . . 0.0 110.996 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 89.9 mt -71.28 -50.04 36.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.041 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.3 -27.29 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.173 176.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -47.0 65.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.93 -10.64 60.06 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.187 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.6 t-80 -62.85 -34.57 77.64 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.12 41.69 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.206 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 43.8 mt -95.56 148.76 22.17 Favored 'General case' 0 CA--C 1.488 -1.423 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.815 176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.498 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.4 t70 -74.46 159.92 31.64 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.649 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 m-70 -55.39 -35.68 65.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.882 0.31 . . . . 0.0 111.67 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.974 0.416 . . . . 0.0 110.206 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.534 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mmtt -65.69 -44.02 87.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.076 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 27' ' ' ASP . 41.7 t -60.33 -42.67 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.748 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 78.7 mt -63.96 -47.61 79.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.65 -48.69 80.65 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.8 -51.53 67.88 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.113 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -58.92 -41.13 86.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 15.0 ptm180 -73.33 -41.1 63.89 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.608 -178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.84 -31.08 66.14 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.537 0.684 . . . . 0.0 110.045 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.64 -43.34 72.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.909 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.1 -46.91 82.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.22 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.3 mtpp -62.6 -42.44 99.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.529 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.87 -42.32 99.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.925 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' B' ' 46' ' ' MET . 57.7 mt -66.92 -54.65 22.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.155 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.23 -27.48 62.06 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.31 0.644 . . . . 0.0 112.134 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.53 -53.57 49.77 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD21 ' A' ' 26' ' ' LEU . 37.8 m-85 -74.9 -26.56 59.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 76.8 mtp . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.789 0.328 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.79 -47.29 69.55 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -65.05 -36.38 84.16 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.603 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -59.4 -45.82 90.44 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.54 -36.79 79.3 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.69 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.25 -49.08 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.74 -50.91 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.71 0.632 . . . . 0.0 110.77 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.2 -47.73 84.78 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 123.937 0.895 . . . . 0.0 113.384 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -67.59 -37.87 83.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.99 0.424 . . . . 0.0 110.275 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.4 ttpt -57.55 -51.58 68.88 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.465 1.106 . . . . 0.0 108.465 173.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 18' ' ' ILE . 43.3 mttm -60.64 -38.82 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.27 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -57.45 -41.61 80.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.288 0.367 . . . . 0.0 110.25 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.85 -45.79 73.6 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 177.246 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 14' ' ' LYS . 63.0 mt -57.25 -41.91 79.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 O-C-N 123.436 0.46 . . . . 0.0 110.09 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -59.06 -39.54 82.38 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.747 0.419 . . . . 0.0 110.634 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.8 mt -70.34 -47.95 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.614 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.1 p -67.93 -31.66 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 119.644 -0.823 . . . . 0.0 112.315 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.72 -51.93 66.35 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 122.186 -0.321 . . . . 0.0 111.478 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.18 -19.02 61.11 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.781 0.433 . . . . 0.0 111.813 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 79.2 t60 -57.58 -32.85 67.56 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.906 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.05 -0.32 0.7 Allowed Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 119.208 -1.473 . . . . 0.0 113.756 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -63.35 146.72 52.93 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 121.417 0.627 . . . . 0.0 112.599 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -85.64 175.78 8.56 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.9 m-70 -65.64 -38.39 89.22 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.302 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.632 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.5 p-10 -62.9 -39.24 93.92 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.53 -44.05 95.36 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.29 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 27' ' ' ASP . 91.7 t -63.89 -41.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.916 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 85.6 mt -61.73 -50.89 70.62 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.675 0.39 . . . . 0.0 110.975 177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 65.3 mt -63.38 -43.17 98.36 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.33 0.394 . . . . 0.0 111.142 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.26 -54.41 37.65 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.739 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 p -60.44 -41.39 93.94 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.3 ptm180 -69.42 -36.58 76.82 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.58 -38.31 59.22 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.883 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.85 -45.67 91.69 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.404 1.082 . . . . 0.0 110.389 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.3 -44.02 83.73 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.084 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -65.82 -42.43 90.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.052 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.48 -42.03 91.17 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 123.667 0.604 . . . . 0.0 111.106 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.67 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.8 mt -67.84 -57.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.03 -29.46 63.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.115 0.566 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -50.15 69.33 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.08 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.75 -32.61 65.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 71.0 mtp . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? . . . . . 0 N--CA 1.44 -0.974 0 CA-C-O 121.028 0.442 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -33.99 77.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -64.47 -42.14 96.1 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.555 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 12' ' ' ASN . 73.7 mmtt -64.36 -38.53 91.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.15 -46.74 95.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.428 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -58.64 -49.35 77.85 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' 9' ' ' LYS . 22.1 t-20 -51.29 -53.61 34.04 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 125.532 1.533 . . . . 0.0 112.118 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.97 -40.36 65.36 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.108 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 36.2 ttpt -57.84 -47.19 83.41 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.342 0.657 . . . . 0.0 109.607 174.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 37.7 mttp -62.4 -38.29 89.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.631 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.56 -39.12 86.84 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.477 0.656 . . . . 0.0 110.391 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -69.26 -45.48 69.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.673 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.2 mt -54.99 -42.4 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 98.2 mt-30 -58.34 -39.22 78.91 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.958 176.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.46 -49.66 52.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.489 ' O ' HD13 ' B' ' 26' ' ' LEU . 21.7 t -59.49 -39.82 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.305 0.574 . . . . 0.0 110.193 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.39 -46.75 88.84 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.072 0.549 . . . . 0.0 111.927 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.13 -5.36 41.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 111.542 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.1 -30.38 65.02 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.253 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.44 -7.75 0.53 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.201 -1.476 . . . . 0.0 114.142 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.1 mp -55.07 143.28 27.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' B' ' 31' ' ' VAL . 15.8 m-20 -73.81 172.12 12.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.996 -1.456 . . . . 0.0 108.31 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.14 -51.58 68.75 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 123.496 0.718 . . . . 0.0 109.543 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.95 -29.07 67.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.469 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 16.9 mmtp -61.46 -41.72 97.67 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.712 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 27' ' ' ASP . 53.2 t -63.85 -38.35 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.56 -53.45 41.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.361 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.02 -44.15 97.84 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 80.0 t80 -59.82 -52.44 65.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.601 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -60.6 -46.4 90.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.91 -26.68 60.65 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' B' ' 40' ' ' LYS . 18.5 t70 -78.22 -39.9 39.02 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.092 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 7.0 tt -67.31 -34.85 78.24 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.639 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -56.28 -46.89 79.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.158 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.504 ' NZ ' ' HA ' ' B' ' 37' ' ' ASP . 35.7 mtmm -61.97 -37.49 84.99 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.604 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -66.27 -40.5 90.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 46' ' ' MET . 39.9 mt -67.22 -56.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.609 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -52.86 -33.94 52.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.427 0.691 . . . . 0.0 111.569 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -58.59 -48.2 81.72 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.537 0.735 . . . . 0.0 110.356 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.526 ' HB3' HD21 ' A' ' 26' ' ' LEU . 34.9 m-85 -80.4 -27.48 38.11 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.8 mtp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.2 mt-30 . . . . . 0 C--O 1.217 -0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD12 ' ND1' ' B' ' 24' ' ' HIS . 3.1 tm? -57.29 -42.29 81.43 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.257 1.023 . . . . 0.0 110.737 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -66.13 -34.55 78.32 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.096 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.0 mmtt -67.83 -38.54 83.35 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.48 -48.09 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.575 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 76.7 mm-40 -56.49 -50.43 71.79 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.806 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.49 -44.46 95.94 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.335 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -66.05 -43.36 87.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.06 0.457 . . . . 0.0 110.268 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HD3' HD12 ' A' ' 42' ' ' ILE . 37.6 ttpt -56.48 -49.08 75.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -63.99 -38.07 89.75 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.589 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.79 -46.35 84.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.437 0.637 . . . . 0.0 109.509 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 17' ' ' LEU . 1.1 tm? -66.31 -44.91 82.08 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.258 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.7 mt -58.02 -41.02 79.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 O-C-N 123.335 0.397 . . . . 0.0 110.223 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.06 -39.73 93.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.846 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.83 -52.16 58.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.716 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.496 HG21 ' CE2' ' A' ' 34' ' ' PHE . 10.0 m -61.4 -34.66 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.567 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -63.52 -51.82 63.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.232 0.613 . . . . 0.0 111.253 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.41 -18.62 64.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.981 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.413 ' ND1' HD12 ' B' ' 6' ' ' LEU . 23.4 t60 -63.41 -39.06 93.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.552 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.44 -16.36 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 118.889 -1.624 . . . . 0.0 114.335 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.9 mp -55.21 144.45 24.43 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -75.35 168.86 19.19 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.76 -1.564 . . . . 0.0 107.524 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 m80 -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.227 0.537 . . . . 0.0 109.729 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 m-20 -62.94 -34.71 78.05 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.62 -44.52 93.69 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.612 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.6 t -61.35 -43.57 96.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 123.715 0.635 . . . . 0.0 109.735 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 77.3 mt -61.7 -53.5 55.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.87 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.1 mt -62.95 -41.96 99.67 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.606 0.241 . . . . 0.0 111.066 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' VAL . 75.5 t80 -61.62 -51.25 69.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.261 0.624 . . . . 0.0 111.354 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.5 p -61.14 -35.07 76.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.335 0.397 . . . . 0.0 111.516 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.0 mtp180 -68.29 -51.91 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.389 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.03 -39.01 92.74 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.63 -176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.42 -43.49 85.53 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.288 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.71 -47.67 83.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 7.9 mptt -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.995 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 61.3 tp -62.62 -42.58 99.67 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 109.844 174.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.495 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.8 mt -65.37 -50.8 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.159 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.368 178.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -57.13 -32.33 66.25 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.5 ttmm -60.94 -50.13 74.64 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 123.971 0.908 . . . . 0.0 110.527 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.58 -32.54 41.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 121.116 0.484 . . . . 0.0 112.082 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--N 1.297 -1.711 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.807 -178.062 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.413 HD12 ' ND1' ' A' ' 24' ' ' HIS . 3.4 tm? . . . . . 0 N--CA 1.439 -1.001 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HB ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -67.0 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.83 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -69.78 -31.86 70.02 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -70.48 -33.79 71.65 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.108 172.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 65.9 mt -58.7 -48.51 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -54.27 -52.78 60.32 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.881 0.738 . . . . 0.0 110.045 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.1 -41.98 93.72 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.396 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.72 -42.22 74.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.5 ttpt -53.96 -49.42 68.79 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.714 1.206 . . . . 0.0 108.715 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.97 -40.89 97.45 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.707 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.71 -41.53 73.94 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 121.398 0.618 . . . . 0.0 110.395 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.407 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -70.93 -42.07 70.33 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.433 -178.29 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.7 mt -58.5 -42.98 85.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.62 -24.52 67.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.05 -53.75 7.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.148 -0.345 . . . . 0.0 111.382 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.72 -34.26 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.439 0.638 . . . . 0.0 111.037 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.65 -43.97 87.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.417 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.31 -10.69 59.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.117 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.43 ' ND1' HD12 ' A' ' 6' ' ' LEU . 8.9 t60 -68.84 -48.38 63.62 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.77 34.08 0.02 OUTLIER Glycine 0 N--CA 1.434 -1.491 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.385 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 57.5 mt -90.64 144.41 25.77 Favored 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.755 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.44 ' O ' HG23 ' B' ' 31' ' ' VAL . 3.0 m-20 -70.27 158.74 35.34 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 47.2 m80 -59.3 -35.63 74.13 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 118.357 0.526 . . . . 0.0 111.192 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.35 -34.42 77.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.451 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.684 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 31.6 mmtp -65.82 -46.6 78.02 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.898 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 27' ' ' ASP . 23.2 t -56.92 -43.39 80.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 123.827 0.704 . . . . 0.0 110.182 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 59.1 mt -64.81 -51.93 59.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -38.09 89.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.44 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.36 -51.98 38.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.229 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 45.4 p -57.78 -36.84 72.72 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 7.7 ptm180 -78.4 -35.78 46.65 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.856 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.51 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 t70 -78.53 -28.02 46.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.609 0.719 . . . . 0.0 109.525 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 tp -67.05 -43.31 83.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.85 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.13 -43.52 98.76 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 46.8 mtpt -55.76 -48.7 74.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.254 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.0 tt -62.21 -45.55 92.84 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.812 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.527 ' O ' ' HG2' ' B' ' 46' ' ' MET . 52.4 mt -65.88 -48.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.814 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -57.37 -34.4 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.406 0.146 . . . . 0.0 111.168 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 34.9 ttmt -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.256 1.022 . . . . 0.0 110.475 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 26' ' ' LEU . 21.0 m-85 -77.51 -29.92 52.71 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.3 mmm . . . . . 0 C--N 1.307 -1.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 90.3 mt-30 . . . . . 0 N--CA 1.445 -0.704 0 CA-C-O 121.116 0.484 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.68 -45.84 56.82 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -29.04 68.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.639 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 25.9 t-20 -59.56 -48.54 81.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.722 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.64 -40.63 97.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.06 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.36 -50.15 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.085 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -58.05 -52.17 66.65 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.079 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -57.8 -45.46 86.04 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 124.079 0.862 . . . . 0.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -68.54 -46.27 69.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.987 0.423 . . . . 0.0 110.874 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.6 ttpt -58.66 -42.13 87.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.699 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.52 -39.97 92.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.651 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.48 -40.08 74.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.651 0.739 . . . . 0.0 109.172 173.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.77 -47.29 69.61 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.546 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.0 mt -56.92 -40.89 75.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.32 -39.0 91.61 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.687 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.39 -46.8 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' HD13 ' A' ' 26' ' ' LEU . 89.4 t -57.3 -43.18 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.891 0.377 . . . . 0.0 110.337 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.99 67.2 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.563 0.745 . . . . 0.0 112.014 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -66.59 -18.56 65.43 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -60.83 -31.55 70.97 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.544 0.212 . . . . 0.0 110.951 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.85 11.42 0.12 Allowed Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 119.356 -1.402 . . . . 0.0 113.745 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.3 mp -75.59 149.39 38.29 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.0 m-20 -87.05 171.04 11.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.535 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 p-80 -56.17 -48.78 75.66 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -63.34 -37.62 87.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.498 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -60.24 -46.04 91.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.531 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.7 t -61.77 -43.23 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.3 mt -63.0 -50.27 71.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.42 -42.42 98.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.99 -54.74 37.47 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 123.467 0.479 . . . . 0.0 110.83 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -58.97 -41.2 86.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -74.35 -35.07 63.57 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.106 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.03 -32.23 61.52 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.05 -46.53 80.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.214 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.54 -42.7 97.07 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -61.91 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.073 1.349 . . . . 0.0 112.111 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 5.1 tt -60.43 -40.38 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.546 HD12 ' HD3' ' A' ' 14' ' ' LYS . 87.0 mt -73.98 -43.57 52.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.44 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -57.72 -29.22 64.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.975 0.51 . . . . 0.0 110.617 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 35.6 ttmt -62.45 -49.2 76.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.193 0.997 . . . . 0.0 110.029 176.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' B' ' 26' ' ' LEU . 73.0 m-85 -83.32 -29.96 27.89 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm . . . . . 0 C--N 1.312 -1.054 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.57 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -67.08 -27.85 67.7 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.255 179.284 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -74.27 -34.11 63.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -65.26 -38.56 90.68 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 56.5 mt -60.32 -49.84 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.781 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 17.0 mm-40 -52.1 -53.88 37.16 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 123.28 0.632 . . . . 0.0 109.989 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.69 -47.62 79.47 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.389 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.8 -39.01 84.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 110.12 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.453 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -57.36 -47.82 80.62 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.277 1.031 . . . . 0.0 108.372 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -65.86 -41.71 91.3 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.634 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.42 -42.73 74.56 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.301 0.572 . . . . 0.0 109.509 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 21' ' ' VAL . 19.7 tp -68.24 -46.28 70.95 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.748 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.8 mt -53.89 -43.64 57.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 123.623 0.577 . . . . 0.0 110.288 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.7 mt-30 -56.45 -42.51 78.28 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.769 0.668 . . . . 0.0 110.764 176.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.16 -49.76 53.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.648 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 26' ' ' LEU . 20.5 t -62.41 -36.23 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-O 121.375 0.607 . . . . 0.0 110.296 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.88 -48.06 80.64 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.503 0.721 . . . . 0.0 111.763 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.31 -13.13 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 37.6 t-80 -60.28 -31.92 70.7 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.384 0.427 . . . . 0.0 110.312 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.58 -6.29 0.39 Allowed Glycine 0 CA--C 1.492 -1.403 0 C-N-CA 118.859 -1.639 . . . . 0.0 113.489 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.52 140.12 47.29 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.9 0.857 . . . . 0.0 112.917 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 31' ' ' VAL . 4.9 m-20 -72.33 167.13 21.09 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.005 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.426 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 44.7 m80 -62.94 -35.96 81.85 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 120.957 0.408 . . . . 0.0 109.948 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.62 -41.48 98.29 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.279 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -61.9 -38.33 87.96 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.17 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.1 t -64.71 -42.37 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 91.9 mt -60.27 -52.79 63.76 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.816 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.72 -44.93 86.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.884 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.61 -49.81 75.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.8 p -60.81 -38.88 86.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.35 -38.58 55.65 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.79 -43.62 88.21 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.08 -42.56 76.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.882 -1.508 . . . . 0.0 111.649 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.67 -42.39 96.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.611 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.39 -35.56 77.87 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.499 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.18 -40.4 97.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.203 0.525 . . . . 0.0 109.726 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' B' ' 46' ' ' MET . 60.4 mt -69.7 -45.74 76.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.243 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -56.71 -34.82 67.83 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.896 0.478 . . . . 0.0 111.011 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -60.04 -55.11 38.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.885 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 26' ' ' LEU . 62.6 m-85 -76.6 -24.78 53.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 13.4 mmt . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 76.7 mt-30 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.623 0.249 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.3 tm? -64.57 -44.06 91.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 172.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 2.7 mmmt -58.97 -44.74 91.57 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.978 176.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.75 -34.78 76.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.894 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.3 mttm -66.66 -41.98 87.32 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.07 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.57 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 23.6 mm-40 -55.57 -52.39 63.91 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 123.836 0.71 . . . . 0.0 110.341 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.72 -49.19 73.71 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.777 0.673 . . . . 0.0 111.708 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -67.39 -42.15 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.283 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -55.62 -49.54 72.54 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.773 1.229 . . . . 0.0 108.839 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.3 mtpp -63.73 -40.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.833 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -55.19 -42.86 73.8 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.461 0.648 . . . . 0.0 109.73 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -70.8 -43.0 69.54 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.78 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.3 mt -58.64 -41.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.22 -33.21 74.13 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.472 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.8 mt -69.96 -52.22 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.8 m -62.22 -30.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.623 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -49.96 67.74 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.353 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -66.01 -18.33 65.27 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.063 0.458 . . . . 0.0 111.94 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -55.86 -38.99 70.85 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.137 171.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.98 35.69 0.17 Allowed Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 120.178 -1.011 . . . . 0.0 112.937 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 39.0 mt -89.95 151.71 21.57 Favored 'General case' 0 CA--C 1.484 -1.559 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.176 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.8 m-20 -76.75 167.22 22.22 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.656 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -59.61 -40.59 88.02 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.97 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 72.1 mmtt -62.55 -49.4 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 27' ' ' ASP . 70.5 t -58.76 -45.01 91.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 123.67 0.606 . . . . 0.0 110.071 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 80.0 mt -65.71 -52.84 48.09 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.66 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -40.74 91.43 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.427 -0.109 . . . . 0.0 111.054 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -61.92 -52.77 62.72 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.595 0.559 . . . . 0.0 111.005 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.0 p -61.68 -35.14 77.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.7 mtp180 -66.9 -46.74 73.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.32 0.387 . . . . 0.0 110.571 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.05 -31.6 62.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.113 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' ILE . 21.8 tp -63.62 -47.06 82.92 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.59 0.756 . . . . 0.0 110.122 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -55.4 -50.49 69.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.922 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -62.32 -39.28 92.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.211 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 40.8 tp -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.037 0.535 . . . . 0.0 111.53 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.7 mt -68.28 -51.67 45.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -54.3 -33.06 57.92 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.982 0.913 . . . . 0.0 111.144 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 40.3 ttmt -57.44 -47.24 82.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.171 0.988 . . . . 0.0 109.954 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -82.22 -33.63 29.24 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.165 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.7 mtp . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.283 0.563 . . . . 0.0 109.753 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.3 OUTLIER -63.96 -32.94 74.65 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.742 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -59.29 -45.97 89.83 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 124.076 0.95 . . . . 0.0 109.638 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.56 -34.16 75.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.407 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.94 -47.7 91.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 19.7 mm-40 -55.82 -49.26 73.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.83 -52.44 62.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.468 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -69.8 -40.57 75.88 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.463 -174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.571 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -54.26 -50.42 67.27 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 124.363 1.065 . . . . 0.0 108.365 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.9 mtpm? -64.12 -40.23 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.16 -41.48 79.29 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.408 0.623 . . . . 0.0 109.862 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -71.25 -43.6 66.93 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.459 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.7 mt -55.47 -42.83 69.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 96.4 mt-30 -62.59 -35.15 78.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.944 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 83.1 mt -72.34 -47.45 49.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.119 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 25.3 t -60.26 -37.38 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.325 0.583 . . . . 0.0 110.233 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.31 -48.89 77.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.403 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 14.5 ptm180 -73.38 -7.43 51.65 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.043 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.8 t60 -64.11 -40.49 96.32 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.21 0.03 OUTLIER Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.7 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.654 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 22.7 mt -95.99 143.77 26.87 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-O 121.239 0.542 . . . . 0.0 112.042 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.03 162.94 28.73 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 172.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 90.1 m-70 -60.06 -34.14 73.02 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.971 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.461 ' O ' HD13 ' B' ' 33' ' ' LEU . 4.7 p-10 -64.96 -38.03 89.61 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.9 mmtm -62.54 -45.19 94.1 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.39 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.5 -41.45 87.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 O-C-N 123.529 0.518 . . . . 0.0 110.09 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 73.0 mt -65.13 -49.53 69.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.199 0.523 . . . . 0.0 110.48 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.461 HD13 ' O ' ' B' ' 29' ' ' ASP . 9.0 mp -65.07 -37.43 87.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.51 -48.59 63.99 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -59.31 -42.68 91.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.52 -26.13 59.79 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 6.2 t70 -80.72 -40.66 24.9 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -62.1 -45.05 95.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.327 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.82 -41.38 86.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.2 0.524 . . . . 0.0 110.089 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 4.7 ttmp? -62.06 -46.43 89.16 Favored 'General case' 0 N--CA 1.407 -2.596 0 C-N-CA 124.624 1.169 . . . . 0.0 111.106 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.35 -38.32 90.61 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.157 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.568 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.6 mt -68.17 -54.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.44 -33.04 58.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.903 0.481 . . . . 0.0 111.614 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -59.13 -55.45 34.86 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 109.474 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.407 ' O ' HD21 ' A' ' 26' ' ' LEU . 41.0 m-85 -75.31 -27.88 59.47 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 27.4 mtp . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 18.1 pt20 . . . . . 0 C--O 1.221 -0.397 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.32 -44.38 62.78 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -66.13 -31.18 71.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -66.15 -43.2 87.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -59.99 -43.22 95.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.977 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.512 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.8 mt -55.27 -46.9 78.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 O-C-N 123.749 0.655 . . . . 0.0 110.139 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 25.5 mm-40 -56.74 -53.34 58.89 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.241 0.338 . . . . 0.0 111.253 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 37.4 m-80 -58.55 -49.52 77.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 O-C-N 123.997 0.811 . . . . 0.0 111.533 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' HD2' ' B' ' 13' ' ' LYS . 11.1 tppt? -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.986 -176.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.7 ttpt -55.65 -52.3 64.29 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 125.112 1.365 . . . . 0.0 108.841 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.47 -38.98 93.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.706 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 48.3 mt-10 -57.27 -44.21 83.77 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.461 0.648 . . . . 0.0 109.702 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -69.99 -41.53 74.29 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.289 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.6 mt -57.8 -42.02 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.48 -33.25 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.701 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' B' ' 10' ' ' ILE . 86.3 mt -71.35 -48.86 47.65 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.505 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 26' ' ' LEU . 16.6 m -63.52 -32.36 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.362 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.19 -51.77 66.49 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.772 0.429 . . . . 0.0 111.504 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.4 -19.0 65.23 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.114 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 45.5 t-80 -59.65 -34.48 72.87 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.735 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.12 -5.12 0.46 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.302 -1.428 . . . . 0.0 114.041 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.2 mp -57.04 145.11 31.69 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.0 m-20 -79.99 170.34 16.6 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 29.3 t-80 -60.79 -40.72 93.68 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.87 -43.24 85.86 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -62.57 -43.13 99.59 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.911 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.9 t -62.7 -40.49 88.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 123.605 0.566 . . . . 0.0 109.871 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.2 mt -64.72 -53.3 49.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.64 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.13 -43.53 91.99 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.988 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.85 -52.13 65.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' HD13 ' A' ' 18' ' ' ILE . 33.5 p -63.89 -34.93 79.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 20.7 mtp180 -60.8 -55.11 36.95 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.97 -40.53 91.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.515 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -47.0 87.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.74 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.75 -46.21 90.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.193 0.52 . . . . 0.0 109.746 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.9 -36.8 80.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.731 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.198 0.523 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' MET . 73.0 mt -67.33 -45.16 86.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.331 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.74 -35.59 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.199 0.523 . . . . 0.0 110.646 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.25 -46.47 86.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.132 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.85 -26.08 49.13 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 14.9 mmt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -30.57 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.343 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -67.79 -42.37 81.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -70.09 -31.19 68.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' A' ' 20' ' ' LEU . 54.2 mt -60.55 -47.05 94.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.51 -52.83 60.74 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.876 0.735 . . . . 0.0 109.733 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.5 -49.72 69.51 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.672 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.508 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 1.5 tppp? -66.97 -39.34 87.2 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.9 ttpt -59.88 -45.68 91.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.751 0.821 . . . . 0.0 109.351 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 85.2 mttt -64.95 -38.87 92.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.958 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -55.86 -41.74 74.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.611 0.719 . . . . 0.0 109.383 172.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -68.43 -44.39 75.06 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.437 -179.473 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 79.8 mt -57.76 -40.16 74.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 53.0 mt-30 -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.047 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.512 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.6 mp -59.96 -54.14 49.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.3 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.2 -38.48 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-O 121.322 0.582 . . . . 0.0 111.088 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.62 67.86 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.736 0.814 . . . . 0.0 112.312 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 16.2 ptm180 -73.25 -11.25 60.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.702 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -64.19 -57.61 9.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.46 0.05 OUTLIER Glycine 0 N--CA 1.426 -1.991 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.783 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 45.3 mt -102.33 155.91 17.93 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.284 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 31' ' ' VAL . 18.4 m-20 -97.68 171.19 8.5 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.573 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 28.0 t60 -57.47 -38.01 73.81 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.46 0.475 . . . . 0.0 111.663 -173.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.1 -40.7 96.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 111.01 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.0 mmtt -64.8 -43.38 93.37 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.2 t -58.61 -43.8 88.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.539 0.524 . . . . 0.0 110.202 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 60.8 mt -65.15 -48.49 73.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.264 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.37 -41.03 90.03 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.053 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.31 -54.44 36.98 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 123.758 0.661 . . . . 0.0 110.897 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 38.4 p -57.74 -39.99 78.64 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -78.78 -30.42 45.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.771 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.8 t70 -74.43 -37.55 63.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.86 -47.82 84.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.344 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.28 -42.24 81.26 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.88 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 14.0 pttm -65.95 -39.74 90.72 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.741 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.94 -37.61 88.22 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.376 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.0 mt -70.55 -54.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.782 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -53.94 -37.52 63.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.151 0.58 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -58.87 -48.39 81.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.716 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -78.84 -29.51 44.68 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.9 mtp . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 121.081 0.467 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -71.1 -46.08 62.45 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 8.1 mmmt -62.1 -35.35 78.42 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.478 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -60.66 -47.0 88.21 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 123.67 0.606 . . . . 0.0 110.573 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.07 -40.44 95.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.85 -52.72 58.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.863 0.727 . . . . 0.0 110.458 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 17.1 mm-40 -54.39 -49.45 69.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 124.929 1.291 . . . . 0.0 111.461 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.67 -40.62 72.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.843 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 29.4 ttpt -58.31 -44.46 88.59 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.244 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' ILE . 58.1 mtpt -64.21 -41.28 97.11 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.649 0.78 . . . . 0.0 111.808 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.2 -42.3 81.03 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.773 0.67 . . . . 0.0 109.741 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.9 tp -65.15 -46.49 80.68 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.233 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -53.67 -42.79 52.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 123.807 0.692 . . . . 0.0 110.224 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -61.34 -34.97 76.15 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.673 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.61 -47.68 30.89 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.364 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.526 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.1 t -62.25 -34.54 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.24 0.543 . . . . 0.0 109.865 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.71 -51.98 65.07 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.165 0.586 . . . . 0.0 111.755 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -64.82 -17.87 64.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 69.3 t60 -57.17 -34.6 68.63 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.457 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.57 -15.0 0.25 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.85 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.5 mp -57.1 146.98 25.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 t70 -95.2 176.72 6.11 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 t-80 -58.91 -37.85 77.57 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 123.189 0.596 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.32 -38.29 90.5 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.321 0.582 . . . . 0.0 110.115 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -72.4 -37.74 68.62 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.652 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 83.5 t -66.6 -39.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 94.6 mt -63.25 -53.86 46.37 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.226 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.04 -42.03 97.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.414 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -65.02 -49.53 69.83 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.2 p -61.66 -33.74 74.49 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.6 mtp180 -71.05 -52.93 16.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.669 0.271 . . . . 0.0 110.725 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.99 -42.82 99.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.056 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 42' ' ' ILE . 29.5 tp -61.57 -43.69 98.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.702 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.96 -46.95 87.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.473 0.654 . . . . 0.0 109.355 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.365 -1.288 . . . . 0.0 111.56 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.16 -43.94 92.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.818 0.447 . . . . 0.0 111.642 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.2 mt -65.37 -57.02 12.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.017 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.54 -28.76 63.81 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.781 0.832 . . . . 0.0 111.857 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.79 -44.42 93.39 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.686 0.794 . . . . 0.0 109.924 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -77.96 -35.19 50.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.812 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 61.5 mtp . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -61.41 -35.59 77.95 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.6 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -65.38 -37.84 88.21 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 122.887 0.475 . . . . 0.0 109.777 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -64.52 -47.18 79.84 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.72 -50.98 64.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 O-C-N 124.227 0.954 . . . . 0.0 109.592 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.3 mm-40 -53.87 -62.29 1.75 Allowed 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 123.667 0.604 . . . . 0.0 111.602 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 8.8 t30 -54.45 -43.73 71.89 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 124.106 0.879 . . . . 0.0 111.811 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -65.95 -47.31 75.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.234 0.54 . . . . 0.0 111.14 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.5 ttpt -58.5 -44.18 89.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.608 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 92.1 mttt -65.48 -41.05 93.75 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.055 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.0 mt-10 -55.61 -39.74 71.18 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 173.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 21' ' ' VAL . 14.5 tp -68.59 -47.28 67.13 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.616 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 82.3 mt -54.63 -42.93 63.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 123.563 0.54 . . . . 0.0 109.735 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.3 mt-30 -57.31 -39.17 75.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.987 176.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.504 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 93.5 mt -72.62 -46.83 52.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 17' ' ' LEU . 17.4 t -62.05 -36.56 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 121.575 0.702 . . . . 0.0 109.631 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.18 85.33 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.638 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 10.9 ptm180 -74.57 -6.1 46.64 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.4 t60 -69.91 -37.24 75.9 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.32 44.21 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.939 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.945 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 25.7 mt -99.8 142.87 30.71 Favored 'General case' 0 CA--C 1.479 -1.76 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.256 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.515 ' O ' HG23 ' B' ' 31' ' ' VAL . 2.1 m-20 -69.79 159.58 33.31 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.666 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 34.9 m-70 -64.07 -30.46 71.53 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.349 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.2 -38.84 92.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.633 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 33.4 mmtp -63.31 -48.25 78.84 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.5 t -57.76 -43.47 84.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 123.489 0.716 . . . . 0.0 110.07 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 65.4 mt -61.75 -53.74 51.95 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 122.446 0.299 . . . . 0.0 111.285 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.07 -42.22 98.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.523 0.514 . . . . 0.0 110.888 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 66.1 t80 -63.63 -54.23 39.06 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.117 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 43.1 p -59.47 -41.76 90.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 18.0 ptm180 -69.61 -37.12 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.841 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 4.4 t70 -80.6 -31.02 36.82 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 119.466 -0.894 . . . . 0.0 110.073 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.1 -47.34 83.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.864 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.78 -41.21 90.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.447 0.641 . . . . 0.0 109.447 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 37.2 ttmt -63.05 -46.87 85.48 Favored 'General case' 0 N--CA 1.414 -2.245 0 C-N-CA 124.529 1.132 . . . . 0.0 110.328 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.79 -39.73 81.97 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.414 0.686 . . . . 0.0 110.437 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.693 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.0 mt -67.11 -54.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.527 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -51.42 -36.65 44.7 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.133 0.573 . . . . 0.0 111.859 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.61 -53.02 62.43 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.073 0.949 . . . . 0.0 109.636 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -75.58 -26.78 58.21 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.693 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.1 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 10.8 pt20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.261 0.553 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.71 -45.4 52.46 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -65.86 -30.48 71.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.011 177.423 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 9.8 t-20 -58.48 -50.31 74.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.359 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.39 -37.78 80.69 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.426 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.52 -51.72 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 58.0 mm-40 -57.01 -52.35 65.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 123.251 0.344 . . . . 0.0 111.138 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -60.31 -44.48 95.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -70.48 -38.51 74.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.925 0.393 . . . . 0.0 110.706 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.9 ttpt -61.15 -43.77 98.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.543 175.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 60.2 mtpt -68.77 -34.71 76.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 48.5 mt-10 -58.43 -42.61 87.67 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -67.18 -43.84 81.18 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 14' ' ' LYS . 90.5 mt -55.53 -40.25 57.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.307 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 77.2 mt-30 -57.54 -43.98 84.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.433 0.458 . . . . 0.0 110.811 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.665 ' HB3' HG12 ' B' ' 10' ' ' ILE . 3.1 mm? -62.3 -52.41 63.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.31 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 1.6 m -65.91 -31.39 53.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.366 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -67.32 -48.35 67.83 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 122.147 -0.346 . . . . 0.0 111.6 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -64.95 -19.12 65.8 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.719 0.295 . . . . 0.0 111.156 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.0 t-80 -55.39 -42.99 74.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.517 0.727 . . . . 0.0 110.584 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -8.19 0.2 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.649 -1.262 . . . . 0.0 113.503 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' B' ' 45' ' ' PHE . 10.9 mp -56.65 141.67 42.74 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -77.61 163.78 25.93 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.7 m80 -60.03 -34.8 73.87 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 t70 -56.76 -44.5 81.85 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.58 1.152 . . . . 0.0 110.327 175.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -68.03 -38.52 82.64 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' ASP . 84.7 t -64.87 -38.93 84.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.866 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 92.8 mt -63.51 -47.33 82.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.006 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 48.2 mt -69.43 -38.34 77.83 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.52 -52.38 53.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -59.5 -39.18 82.96 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -74.46 -38.08 63.06 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 44.5 t0 -69.21 -38.69 78.7 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.987 0.898 . . . . 0.0 109.139 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.9 tp -67.02 -42.04 85.58 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.516 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.09 -41.9 99.5 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.254 0.549 . . . . 0.0 110.102 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 20.4 pttp -70.52 -32.53 70.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.887 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 49.6 tp -67.97 -36.84 80.74 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 46' ' ' MET . 70.9 mt -73.5 -51.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.178 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.33 -31.93 55.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.872 0.469 . . . . 0.0 111.775 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 39.2 ttmt -57.72 -48.77 78.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.119 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' B' ' 26' ' ' LEU . 38.1 m-85 -80.56 -27.99 37.36 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.311 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.661 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 82.5 mtp . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.895 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -62.76 -36.31 82.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.543 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -76.39 -20.39 57.18 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.222 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -75.24 -35.99 61.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' A' ' 20' ' ' LEU . 82.3 mt -61.06 -48.43 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.856 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 65.9 mm-40 -54.36 -51.39 64.94 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.567 0.542 . . . . 0.0 109.774 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.75 -53.72 53.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.391 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -65.37 -41.07 94.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 31.3 ttpt -58.04 -45.06 87.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -64.83 -39.27 93.3 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.73 -37.68 79.6 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.204 0.526 . . . . 0.0 109.592 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.432 ' O ' HG23 ' B' ' 21' ' ' VAL . 16.1 tp -69.74 -47.3 63.54 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.498 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.4 mt -53.66 -44.11 56.95 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 123.576 0.547 . . . . 0.0 110.001 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.676 0.61 . . . . 0.0 111.531 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 97.5 mt -78.48 -45.81 21.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.4 t -60.96 -35.87 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.65 -51.46 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 17.2 ptm180 -75.32 2.6 10.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 73.2 t60 -73.6 -29.53 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.29 0.98 0.41 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.056 -1.069 . . . . 0.0 112.317 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -73.06 136.74 45.01 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-O 121.952 0.882 . . . . 0.0 112.429 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.544 ' O ' HG23 ' B' ' 31' ' ' VAL . 20.6 m-20 -79.83 166.02 22.14 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.588 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 82.9 m-70 -64.36 -26.49 68.49 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 118.721 0.691 . . . . 0.0 112.276 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.81 -43.79 92.02 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 18.0 mmtp -61.15 -40.27 93.21 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.88 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 27' ' ' ASP . 57.6 t -62.91 -43.38 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 123.019 0.527 . . . . 0.0 110.155 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.3 mt -62.1 -50.1 73.3 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.902 0.481 . . . . 0.0 110.409 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.13 -40.93 97.58 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -66.78 -52.61 42.1 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.001 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.9 p -59.36 -39.18 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 17.5 ptm180 -70.76 -40.66 72.55 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.99 -37.75 66.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.41 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.84 -46.12 90.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.099 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.68 -39.47 88.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.078 0.466 . . . . 0.0 110.145 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.57 -31.98 65.66 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.462 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.5 tt -62.94 -43.62 98.31 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.8 mt -67.58 -51.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.775 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -56.03 -32.75 64.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -55.6 -38.62 69.66 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 124.334 1.054 . . . . 0.0 109.717 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.584 ' HB3' HD21 ' A' ' 26' ' ' LEU . 36.6 m-85 -94.66 -31.36 13.87 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.1 mtp . . . . . 0 C--N 1.308 -1.202 0 CA-C-O 121.255 0.55 . . . . 0.0 109.813 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.87 -44.6 76.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.251 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -30.29 70.07 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.065 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -63.65 -41.64 98.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.1 -46.0 92.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.789 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.4 -53.55 44.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.588 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -56.24 -53.42 57.39 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.553 0.533 . . . . 0.0 110.921 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -56.71 -49.87 73.87 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 123.907 0.754 . . . . 0.0 112.742 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.62 -35.03 76.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.385 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.536 ' HD3' HD12 ' A' ' 42' ' ' ILE . 36.5 ttpt -59.63 -48.56 81.19 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 123.92 0.888 . . . . 0.0 109.173 173.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.04 -41.54 90.73 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.256 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -57.56 -38.17 74.35 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.535 0.522 . . . . 0.0 109.913 173.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -67.65 -47.08 70.56 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.448 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.7 mt -55.12 -42.91 67.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 O-C-N 123.741 0.651 . . . . 0.0 110.184 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -57.71 -42.78 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.653 0.596 . . . . 0.0 110.904 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.79 -48.03 64.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.63 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.7 t -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.08 0.467 . . . . 0.0 110.134 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.83 -52.44 64.14 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.426 0.69 . . . . 0.0 112.528 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.43 -19.15 65.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.12 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.9 t-80 -55.0 -33.93 63.01 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.464 0.706 . . . . 0.0 110.969 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.0 3.93 0.17 Allowed Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 119.215 -1.469 . . . . 0.0 113.197 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.8 mp -69.55 144.62 53.04 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 121.726 0.774 . . . . 0.0 112.059 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -83.4 169.51 15.49 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.022 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.59 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -57.65 -43.78 85.19 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.386 0.429 . . . . 0.0 110.46 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.9 t70 -63.56 -37.88 89.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.757 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.56 -41.78 96.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.631 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.3 t -62.09 -41.7 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.6 mt -62.18 -50.09 73.22 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.597 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 78.1 mt -59.28 -48.88 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.51 0.506 . . . . 0.0 110.313 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.14 -52.41 64.98 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.28 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -60.78 -42.81 98.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.8 ptm180 -72.53 -34.14 67.36 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.539 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 5.0 t70 -78.29 -36.78 46.14 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.804 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.727 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.08 -44.53 87.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.954 0.407 . . . . 0.0 110.339 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 37' ' ' ASP . 54.0 mtmt -64.51 -42.11 96.01 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.709 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 47.4 tp -57.61 -43.19 84.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 123.629 0.581 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.725 ' O ' ' HG3' ' A' ' 46' ' ' MET . 72.4 mt -67.1 -54.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.123 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -56.63 -30.9 63.8 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.8 ttmt -57.92 -49.68 75.93 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.75 1.22 . . . . 0.0 109.92 176.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' B' ' 26' ' ' LEU . 42.5 m-85 -77.44 -26.47 51.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.514 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.725 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 51.3 mtp . . . . . 0 C--N 1.31 -1.117 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -34.77 79.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.409 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -61.12 -45.05 96.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.241 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -65.27 -38.78 91.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.54 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.27 -49.97 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -56.12 -51.2 68.77 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 123.505 0.503 . . . . 0.0 110.21 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -58.16 -47.22 84.04 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.93 0.769 . . . . 0.0 111.596 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.53 -45.11 76.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.033 0.444 . . . . 0.0 111.306 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.9 ttpt -56.41 -46.16 80.33 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 124.541 1.136 . . . . 0.0 109.364 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.47 -41.01 93.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.231 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.517 ' O ' HD22 ' B' ' 20' ' ' LEU . 35.2 mt-10 -55.06 -45.9 75.34 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 123.654 0.596 . . . . 0.0 110.119 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -63.24 -44.72 94.4 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.29 -179.027 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 64.4 mt -56.67 -38.48 57.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.51 -36.0 77.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.02 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.517 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.1 mm? -74.82 -49.44 20.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.401 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.0 p -66.92 -30.8 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 119.479 -0.888 . . . . 0.0 112.58 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.76 -45.44 92.66 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 122.198 -0.314 . . . . 0.0 111.184 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -74.01 -12.27 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.672 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 22.1 t-80 -58.92 -42.73 90.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.08 0.466 . . . . 0.0 110.148 175.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.95 -16.62 0.06 OUTLIER Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.404 -176.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.8 mp -53.21 134.31 39.13 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 121.553 0.692 . . . . 0.0 112.606 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.558 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.6 t70 -86.12 -177.5 6.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.539 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 12.2 m170 -61.08 -36.41 79.56 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 122.55 0.34 . . . . 0.0 110.602 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -71.24 -39.79 71.44 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.923 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.469 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 31.8 mmtm -62.36 -38.41 89.43 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.258 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.8 t -67.35 -34.93 72.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 89.2 mt -69.7 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -42.77 99.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.134 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 90.1 t80 -63.38 -51.73 64.65 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -60.04 -35.68 75.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -77.92 -35.79 50.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 3.8 t70 -75.01 -32.21 61.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.7 -47.75 68.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.051 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.78 -43.73 90.5 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.274 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 43.9 pttt -64.94 -37.87 89.09 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.494 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.78 -35.6 78.98 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.526 0.679 . . . . 0.0 109.358 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.591 ' O ' ' HG2' ' B' ' 46' ' ' MET . 61.2 mt -73.37 -51.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.91 -35.87 69.52 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.002 0.43 . . . . 0.0 110.932 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.82 -52.81 62.73 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.231 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.472 ' HB3' HD21 ' A' ' 26' ' ' LEU . 55.3 m-85 -75.95 -23.51 55.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.591 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.8 mmm . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 7.2 pt20 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.8 tm? -61.22 -41.67 97.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.594 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.23 -35.49 81.0 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.61 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.1 mmmt -68.84 -40.15 79.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mt -56.99 -48.15 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 49.7 mm-40 -57.35 -52.6 64.69 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.453 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.56 -40.9 93.3 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.742 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 1.9 tppp? -74.62 -39.62 62.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.1 ttpt -56.32 -47.98 77.64 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.23 1.012 . . . . 0.0 109.194 173.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.0 mttm -58.28 -39.37 79.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.814 0.846 . . . . 0.0 112.674 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 59.8 mm-40 -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.717 0.77 . . . . 0.0 109.594 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -66.44 -43.27 86.1 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.537 -1.21 . . . . 0.0 111.179 -177.566 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.2 mt -55.82 -41.95 68.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.01 -33.36 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.355 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.4 mp -69.22 -52.27 29.48 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.748 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.4 t -60.04 -40.92 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 121.086 0.47 . . . . 0.0 109.926 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.61 -51.39 69.71 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 123.613 0.765 . . . . 0.0 112.293 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.2 -18.64 64.63 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.709 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 6' ' ' LEU . 85.7 t60 -60.37 -37.76 81.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.426 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.15 6.36 0.09 OUTLIER Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 118.928 -1.606 . . . . 0.0 113.691 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.3 mp -66.64 146.45 54.47 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-O 121.621 0.724 . . . . 0.0 112.034 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 m-20 -77.39 167.68 21.27 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.523 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.31 -39.17 92.15 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.9 m-20 -63.06 -41.31 99.43 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.788 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 42.2 mmtm -59.91 -44.39 94.32 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.491 0.495 . . . . 0.0 110.569 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.4 t -59.27 -43.31 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 123.546 0.529 . . . . 0.0 110.132 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.9 mt -63.25 -48.01 80.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.593 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 70.4 mt -65.98 -44.64 84.28 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.613 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.98 -51.23 70.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.964 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 p -60.95 -41.38 96.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.24 -34.84 63.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.384 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.89 -40.67 72.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.5 tp -58.33 -47.23 84.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.951 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.67 -45.46 94.08 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.429 0.456 . . . . 0.0 110.212 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.21 -36.46 83.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.088 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.28 -39.72 95.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.695 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.0 mt -65.5 -54.18 31.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -52.16 -38.4 57.54 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.851 0.86 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -57.74 -49.6 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.342 1.057 . . . . 0.0 110.448 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -75.29 -33.1 61.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.695 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.2 mtp . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.6 tm? . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.42 82.87 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.549 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.77 -44.54 96.63 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.395 0.434 . . . . 0.0 110.228 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -62.56 -49.78 73.92 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 123.331 0.394 . . . . 0.0 111.036 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 20' ' ' LEU . 60.2 mt -50.25 -54.38 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 0.0 111.033 175.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 54.9 mm-40 -58.78 -55.29 36.98 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 123.331 0.395 . . . . 0.0 111.036 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -58.21 -47.5 83.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.36 -37.96 80.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.1 ttpt -59.75 -48.09 83.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.106 0.963 . . . . 0.0 109.054 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.3 mtpm? -62.78 -40.62 97.88 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.435 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.89 -41.22 82.13 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 110.325 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -45.16 69.98 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 14' ' ' LYS . 93.6 mt -55.03 -42.56 65.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 123.32 0.388 . . . . 0.0 110.052 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.03 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 84.8 mt -71.16 -49.37 44.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.581 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.18 -40.02 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 121.283 0.564 . . . . 0.0 109.896 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.03 79.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.546 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 16.5 ptm180 -76.31 1.27 16.6 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.42 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.8 t60 -74.33 -29.28 61.53 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.99 42.34 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.872 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.2 mt -96.89 149.05 22.31 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.621 0.724 . . . . 0.0 111.676 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.476 ' O ' HG23 ' B' ' 31' ' ' VAL . 24.7 t70 -81.93 167.64 18.73 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.565 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 32.1 t60 -58.49 -33.92 70.33 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.846 0.294 . . . . 0.0 110.342 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -36.42 77.6 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.5 mmtm -67.37 -43.52 81.22 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.025 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -60.98 -42.85 94.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 O-C-N 123.647 0.592 . . . . 0.0 109.646 177.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 54.6 mt -65.74 -47.25 75.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.682 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.59 -43.01 91.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.189 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -64.59 -49.9 69.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -58.51 -39.15 79.3 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 13.3 ptm180 -77.0 -41.25 43.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.189 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 0.5 OUTLIER -73.56 -28.86 62.09 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.47 -41.44 93.36 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.35 -46.71 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 94.3 mttt -55.33 -49.3 72.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.127 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.69 -42.72 89.21 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.999 0.519 . . . . 0.0 111.358 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.615 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.2 mt -66.23 -53.8 33.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -51.4 -38.3 52.75 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.118 0.967 . . . . 0.0 111.34 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.06 -43.87 87.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.094 0.958 . . . . 0.0 110.394 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -86.15 -24.22 26.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.772 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 63.3 mtp . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.522 0.677 . . . . 0.0 109.324 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.0 tm? -69.09 -46.76 66.97 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -34.19 77.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.776 178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.45 -48.46 81.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.72 0.808 . . . . 0.0 109.086 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.85 -38.62 91.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.092 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -58.52 -52.04 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -56.55 -45.04 81.42 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.713 0.633 . . . . 0.0 110.477 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.76 -53.49 57.2 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.946 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -71.39 -35.76 71.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.6 ttpt -57.75 -49.44 76.56 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.139 0.976 . . . . 0.0 109.37 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 7.7 mtpm? -67.33 -36.71 82.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.993 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.25 -41.3 83.92 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-O 121.601 0.715 . . . . 0.0 110.161 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 tp -69.16 -45.18 70.68 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.034 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.6 mt -55.18 -40.88 57.57 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 O-C-N 123.538 0.524 . . . . 0.0 109.758 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.0 mt-30 -55.91 -46.06 78.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.658 0.599 . . . . 0.0 110.539 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -68.54 -46.15 70.29 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.34 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 22.8 t -64.53 -33.22 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.228 0.537 . . . . 0.0 110.337 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -52.88 34.23 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.5 ptm180 -66.82 -18.94 65.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.516 0.51 . . . . 0.0 112.039 -178.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 66.1 t60 -50.67 -45.76 58.23 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.17 41.17 0.03 OUTLIER Glycine 0 N--CA 1.42 -2.415 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.23 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 19.7 mt -91.0 158.35 16.75 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 121.484 0.659 . . . . 0.0 111.501 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.6 m-20 -83.36 168.03 17.0 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.596 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.3 t-80 -61.64 -41.94 98.2 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.7 p30 -62.03 -37.91 86.69 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.486 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.4 mmtm -62.56 -46.73 87.0 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.622 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.6 t -58.98 -40.41 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 53.9 mt -64.83 -51.75 60.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.7 mt -63.24 -42.28 99.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.599 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD1' HD22 ' B' ' 41' ' ' LEU . 75.2 t80 -61.45 -54.76 39.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.21 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 p -62.25 -35.97 80.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -74.57 -37.77 62.87 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.527 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.0 -39.21 79.46 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.58 -43.91 92.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.191 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.43 -44.74 96.6 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.49 -35.79 81.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.31 -42.28 99.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 109.812 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -49.47 76.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.29 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -56.39 -36.39 68.83 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.553 0.216 . . . . 0.0 111.221 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -58.02 -49.71 75.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 110.69 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -81.31 -28.94 34.37 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 CA--C 1.499 -1.014 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.011 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.478 ' HG2' ' HE1' ' B' ' 46' ' ' MET . 0.0 OUTLIER -64.13 -36.09 82.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.318 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.1 -39.88 87.68 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.437 0.46 . . . . 0.0 109.826 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -72.4 -34.32 67.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.01 -49.84 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.35 -50.14 70.41 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.769 0.668 . . . . 0.0 110.392 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -53.77 -49.69 67.69 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.615 1.197 . . . . 0.0 111.513 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.73 -40.77 47.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.379 -174.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 33.4 ttpt -58.04 -48.92 78.63 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 124.304 1.041 . . . . 0.0 109.596 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' B' ' 18' ' ' ILE . 33.9 mttp -62.01 -39.59 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.45 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.08 -41.07 82.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.552 0.691 . . . . 0.0 111.057 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -68.67 -43.38 76.3 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.794 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 14' ' ' LYS . 97.4 mt -55.32 -41.31 61.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 123.564 0.54 . . . . 0.0 109.631 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -58.11 -38.54 76.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.456 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.46 -49.39 41.88 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.564 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.57 -37.27 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 121.379 0.609 . . . . 0.0 110.285 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.55 -52.44 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.684 0.794 . . . . 0.0 112.492 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.18 -19.08 65.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.806 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB2' HD11 ' A' ' 6' ' ' LEU . 86.6 t60 -62.54 -37.1 84.8 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.77 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.61 -16.9 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.338 0 C-N-CA 119.457 -1.354 . . . . 0.0 112.433 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.26 132.04 42.81 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.563 ' O ' HG23 ' B' ' 31' ' ' VAL . 12.4 m-20 -71.8 168.13 18.49 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.436 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 24.6 t60 -62.14 -37.17 84.18 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.601 . . . . 0.0 109.537 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.293 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 35.1 mmtm -60.53 -42.24 96.09 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.087 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.5 t -64.71 -43.25 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.768 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.8 mt -62.51 -43.09 99.67 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.28 -44.42 68.43 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.314 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -64.38 -45.73 86.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.135 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.2 p -59.91 -46.19 90.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 11.1 ptm180 -72.17 -33.4 67.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.55 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.693 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 7.2 t70 -75.21 -37.33 61.17 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.665 0.745 . . . . 0.0 109.136 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.93 -42.58 89.9 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.423 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.96 -39.22 88.7 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.093 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.693 ' HG3' ' O ' ' B' ' 37' ' ' ASP . 1.7 pptp? -70.4 -31.73 69.07 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 120.863 0.363 . . . . 0.0 111.861 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.62 -42.93 95.19 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.487 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.9 mt -69.6 -56.48 11.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.912 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -51.54 -35.53 41.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.984 0.513 . . . . 0.0 111.742 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 -52.59 64.86 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -75.84 -30.97 59.13 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 85.6 mtp . . . . . 0 C--N 1.318 -0.77 0 C-N-CA 122.34 0.256 . . . . 0.0 111.034 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 . . . . . 0 C--O 1.238 0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.05 -46.41 67.93 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -27.94 66.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.69 -45.5 93.73 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.111 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -64.26 -37.46 87.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.48 -48.73 86.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.682 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -55.68 -51.08 68.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 123.554 0.534 . . . . 0.0 110.627 176.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.85 -49.52 73.08 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 124.39 1.056 . . . . 0.0 110.374 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -68.53 -43.81 75.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.008 -175.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 ttpt -55.06 -48.11 73.94 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 124.363 1.065 . . . . 0.0 108.703 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 18' ' ' ILE . 76.8 mttt -63.7 -41.15 98.16 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.408 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.26 -43.8 88.07 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.636 0.585 . . . . 0.0 109.726 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.05 -45.01 90.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.213 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LYS . 62.8 mt -58.78 -42.82 86.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -58.81 -38.22 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 110.302 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.3 mt -69.53 -49.24 56.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.898 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.8 m -66.47 -32.04 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.795 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.56 68.94 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 112.084 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -65.38 -19.04 65.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HB2' HD11 ' B' ' 6' ' ' LEU . 86.4 t60 -61.63 -29.34 69.99 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.512 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.09 2.41 0.23 Allowed Glycine 0 C--O 1.223 -0.584 0 C-N-CA 118.738 -1.696 . . . . 0.0 114.434 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -69.53 151.39 46.07 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.0 t70 -85.2 159.35 20.13 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 172.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.606 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 30.1 m80 -58.41 -27.82 64.65 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.2 t70 -60.93 -42.84 98.91 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.793 0.806 . . . . 0.0 109.499 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -72.06 -34.62 68.89 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.756 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 27' ' ' ASP . 49.1 t -66.77 -41.06 87.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 64.4 mt -64.11 -53.85 43.18 Favored 'General case' 0 C--O 1.205 -1.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.269 177.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.2 mt -59.81 -42.79 94.26 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.48 -52.03 66.19 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.504 ' HB3' HD13 ' A' ' 18' ' ' ILE . 30.7 p -59.53 -37.03 77.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 40.0 mtp85 -72.02 -43.37 65.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.8 t70 -75.84 -28.51 58.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.417 0.627 . . . . 0.0 110.044 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.48 -44.01 83.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.578 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 46.2 mtpt -54.7 -47.41 73.73 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.504 0.721 . . . . 0.0 111.528 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' B' ' 34' ' ' PHE . 2.2 tt -59.58 -48.0 83.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.411 HD12 ' HD3' ' A' ' 14' ' ' LYS . 67.2 mt -60.98 -54.03 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.557 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -53.62 -36.1 61.66 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.797 0.439 . . . . 0.0 111.397 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.43 -49.96 74.76 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.588 0.755 . . . . 0.0 111.297 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -77.92 -37.07 48.61 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.234 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' B' ' 21' ' ' VAL . 97.8 mmm . . . . . 0 C--N 1.307 -1.244 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.196 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.42 73.87 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.065 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -58.43 -48.66 79.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.256 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.66 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.19 -50.91 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 123.633 0.583 . . . . 0.0 110.512 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -57.71 -54.41 47.23 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.226 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.53 -41.79 77.36 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.691 0.62 . . . . 0.0 112.452 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.08 -47.41 62.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' B' ' 42' ' ' ILE . 28.1 ttpt -57.56 -43.9 84.84 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 123.706 0.803 . . . . 0.0 109.229 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.92 -39.27 93.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.724 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 42.0 mt-10 -55.22 -41.85 72.58 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.4 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.82 -45.89 66.85 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.866 -179.521 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.49 -40.29 81.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.57 -27.21 68.27 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.923 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 87.0 mt -74.05 -51.54 15.49 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.33 0.252 . . . . 0.0 111.204 176.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.5 m -63.03 -27.38 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.47 0.653 . . . . 0.0 110.805 176.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.29 -49.84 62.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.36 -7.54 32.15 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 19.3 t-80 -62.37 -46.89 86.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.7 42.55 0.05 OUTLIER Glycine 0 N--CA 1.422 -2.261 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.581 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.66 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 42.6 mt -85.48 132.65 34.17 Favored 'General case' 0 CA--C 1.489 -1.384 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.338 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.79 46.05 0.64 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 66.12 -53.63 0.4 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 126.153 1.781 . . . . 0.0 113.59 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.09 -38.62 83.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.66 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 46.2 mmtm -61.28 -42.24 98.3 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.823 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.8 -42.81 93.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.01 -46.99 79.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.487 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.44 -39.15 81.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.828 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.572 ' CD1' HD22 ' A' ' 41' ' ' LEU . 85.7 t80 -63.68 -52.97 58.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.662 0.601 . . . . 0.0 111.295 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -57.86 -42.73 85.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.401 0.438 . . . . 0.0 111.971 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.78 -28.78 60.88 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 11.8 t70 -81.83 -32.17 31.33 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.928 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.85 -38.52 91.41 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.9 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -45.63 93.38 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.068 174.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 48.0 mtpt -55.78 -49.51 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.609 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 56.5 tp -60.55 -43.11 97.57 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.696 0.623 . . . . 0.0 111.133 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.578 HD12 ' HD3' ' B' ' 14' ' ' LYS . 71.4 mt -64.76 -53.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.008 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.713 0.405 . . . . 0.0 110.615 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 39.5 ttmt -52.61 -39.75 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.774 1.23 . . . . 0.0 110.611 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 26' ' ' LEU . 26.4 m-85 -94.52 -12.53 27.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.1 mtp . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 0.0 109.837 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.6 mt-30 . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -58.18 -49.1 78.23 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.985 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -63.95 -37.75 88.55 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.53 -38.59 91.55 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 66.9 mttm -62.4 -49.37 75.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -57.39 -49.65 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.228 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.07 -52.82 61.99 Favored 'General case' 0 CA--C 1.503 -0.831 0 O-C-N 123.494 0.496 . . . . 0.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 123.865 0.728 . . . . 0.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -66.41 -46.64 75.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.957 0.408 . . . . 0.0 111.337 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.5 ttpt -57.77 -48.87 78.42 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.446 1.098 . . . . 0.0 109.177 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -63.08 -37.77 88.52 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.841 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.9 mt-10 -57.32 -45.15 84.54 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.349 0.595 . . . . 0.0 109.671 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.67 -43.02 81.2 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.713 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 76.4 mt -58.92 -42.43 85.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -61.13 -33.62 73.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.527 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 93.2 mt -73.15 -48.37 36.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.566 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.1 m -64.78 -31.9 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.029 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.82 -52.03 65.84 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.02 0.528 . . . . 0.0 111.272 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -63.54 -19.03 64.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.959 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.514 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 64.9 t60 -57.1 -40.51 77.15 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.519 175.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.67 -3.92 0.21 Allowed Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 119.338 -1.411 . . . . 0.0 113.873 -177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -58.22 146.49 33.65 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.1 m-20 -77.67 164.21 25.5 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.557 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 44.7 t-80 -57.24 -39.78 76.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -57.1 -43.86 82.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.14 1.376 . . . . 0.0 110.758 176.198 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -66.76 -40.45 88.27 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.544 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.5 t -63.63 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 90.7 mt -62.46 -47.62 83.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 77.8 mt -67.42 -44.6 78.39 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -62.26 -50.28 72.33 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -58.67 -42.68 89.03 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -74.3 -39.05 63.15 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.916 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.27 -36.73 77.41 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 42' ' ' ILE . 20.5 tp -62.75 -49.75 73.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.253 175.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.09 -47.46 77.97 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 121.016 0.436 . . . . 0.0 110.165 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.2 -35.57 81.22 Favored 'General case' 0 N--CA 1.409 -2.483 0 C-N-CA 124.929 1.291 . . . . 0.0 112.267 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.19 -39.61 89.81 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.3 mt -67.42 -53.63 30.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.149 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -51.78 -35.55 44.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.365 1.066 . . . . 0.0 111.677 177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -64.08 -46.23 85.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.837 0.351 . . . . 0.0 110.706 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -76.66 -32.36 57.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.965 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 67.8 mtp . . . . . 0 C--N 1.322 -0.612 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.0 mmmt -61.49 -36.57 80.85 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.315 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -57.58 -44.58 85.45 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 123.691 0.619 . . . . 0.0 110.415 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -60.54 -47.07 87.81 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.2 -50.88 76.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.25 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 29.2 mm-40 -54.3 -50.78 66.53 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 123.76 0.662 . . . . 0.0 110.375 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.94 -49.05 79.32 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.296 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -38.19 80.87 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.143 0.497 . . . . 0.0 110.52 -176.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.491 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.18 -48.71 80.6 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 124.882 1.273 . . . . 0.0 109.339 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 29.7 mtpp -65.62 -30.85 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.918 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 48.4 mt-10 -64.43 -42.63 95.92 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.411 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -68.47 -45.68 71.77 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.492 -179.407 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 14' ' ' LYS . 96.1 mt -53.8 -44.04 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 123.533 0.521 . . . . 0.0 110.163 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.99 -23.66 60.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.746 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 86.8 mt -73.13 -48.55 34.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.4 t -59.83 -35.97 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.507 0.67 . . . . 0.0 109.918 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.44 -51.99 65.31 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.474 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.76 -5.24 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.067 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 70.1 t60 -64.86 -37.47 87.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.78 33.1 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.864 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 29.3 mt -91.37 150.68 21.17 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 121.557 0.694 . . . . 0.0 111.706 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.527 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 m-20 -77.49 161.54 27.85 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.636 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 63.9 m-70 -61.78 -29.45 70.15 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.932 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.484 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 9.1 m-20 -65.27 -42.85 92.8 Favored 'General case' 0 CA--C 1.506 -0.745 0 O-C-N 123.349 0.405 . . . . 0.0 110.485 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -58.08 -46.74 84.96 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.713 0.633 . . . . 0.0 109.597 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 27' ' ' ASP . 46.5 t -58.32 -44.31 88.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 123.752 0.821 . . . . 0.0 110.168 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 95.5 mt -61.35 -50.17 74.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 69.8 mt -63.67 -42.02 98.12 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.308 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -64.88 -52.88 54.17 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.001 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 11.9 ptm180 -77.69 -36.67 50.93 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.504 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.71 -40.5 76.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.5 -44.27 96.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.541 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.67 -41.7 91.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.702 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 26.7 mtpp -67.82 -46.96 70.39 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.99 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.4 tp -55.77 -42.14 75.05 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 122.743 0.417 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.724 ' O ' ' HG3' ' B' ' 46' ' ' MET . 60.9 mt -65.05 -60.01 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.403 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.74 -32.66 67.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.651 0.38 . . . . 0.0 111.667 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -58.57 -51.63 69.06 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.764 1.225 . . . . 0.0 109.755 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.0 m-85 -74.39 -32.45 62.73 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.724 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.7 mtp . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 C--O 1.238 0.48 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.824 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 8.2 mmmt -61.89 -37.6 85.19 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.396 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -63.06 -38.45 91.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.892 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -65.08 -39.99 94.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.111 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -49.26 84.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.976 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 16.6 mm-40 -60.28 -43.63 96.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.72 -53.76 54.6 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.975 0.91 . . . . 0.0 110.732 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.92 -40.06 83.44 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.676 0.79 . . . . 0.0 111.115 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.1 ttpt -56.92 -47.75 79.86 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 124.089 0.956 . . . . 0.0 108.788 175.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.25 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.64 -45.25 85.72 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.563 0.697 . . . . 0.0 109.358 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -45.77 73.38 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.313 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.6 mt -55.44 -40.55 58.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 123.506 0.504 . . . . 0.0 110.026 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 54.3 mt-30 -64.38 -39.3 93.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.57 -47.84 74.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 26' ' ' LEU . 76.9 t -58.49 -44.72 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.646 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -58.22 -49.5 76.84 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 123.648 0.779 . . . . 0.0 111.933 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 15.6 ptm180 -67.29 -17.93 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 49.6 t-80 -59.75 -31.16 69.39 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 120.567 0.222 . . . . 0.0 110.625 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.08 -12.16 0.51 Allowed Glycine 0 C--O 1.239 0.441 0 C-N-CA 119.771 -1.204 . . . . 0.0 113.753 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -52.71 149.26 6.3 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -88.24 179.75 6.3 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.494 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.488 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 80.2 m-70 -67.01 -46.0 75.83 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.438 -176.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.38 -37.42 83.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.233 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.42 -43.44 98.86 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.737 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.4 t -65.48 -38.84 83.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.1 mt -62.92 -48.92 76.83 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.263 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.36 -49.04 77.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 79.3 t80 -57.35 -52.41 65.46 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.454 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.4 p -61.28 -43.0 99.59 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -74.47 -34.16 63.06 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 28.5 t70 -69.65 -35.68 75.4 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-O 122.147 0.975 . . . . 0.0 108.621 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.08 -46.04 45.46 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.069 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.84 -40.44 80.11 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.993 0.425 . . . . 0.0 110.669 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 16.8 pttm -67.47 -36.73 81.72 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.141 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 tp -68.64 -35.55 77.44 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.946 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' ' HG3' ' A' ' 46' ' ' MET . 64.0 mt -70.79 -57.36 7.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.525 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -58.03 -32.02 67.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.179 0.592 . . . . 0.0 111.524 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.19 -50.02 75.32 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.247 0.619 . . . . 0.0 110.53 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.24 -33.47 59.18 Favored 'General case' 0 CA--C 1.487 -1.472 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.694 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.2 mtp . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.457 -0.099 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -66.73 -29.3 69.24 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.036 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.07 -33.69 72.24 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.08 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -69.29 -35.53 76.1 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.37 -48.7 87.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.558 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 15.2 mm-40 -57.09 -48.06 79.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.689 0.618 . . . . 0.0 109.576 175.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.7 -52.18 60.87 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.25 1.02 . . . . 0.0 111.308 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 0.5 OUTLIER -70.98 -39.53 72.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.797 -175.279 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -55.27 -49.94 70.78 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 108.635 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.58 -36.42 84.18 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.326 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.79 -35.99 81.66 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 121.191 0.519 . . . . 0.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -43.63 54.62 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.767 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 72.5 mt -57.8 -41.91 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -57.01 -41.19 78.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -52.66 52.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.066 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.402 HG23 HD12 ' B' ' 26' ' ' LEU . 3.5 m -63.04 -32.34 55.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.04 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.94 -45.21 71.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.415 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.89 -6.58 48.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.421 . . . . 0.0 111.546 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -75.61 -20.95 58.2 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.55 38.85 0.11 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 64.7 mt -100.13 138.32 37.36 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.858 0.837 . . . . 0.0 111.661 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.537 ' O ' HG23 ' B' ' 31' ' ' VAL . 19.8 t70 -72.54 161.16 31.15 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.578 -1.646 . . . . 0.0 106.75 173.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.667 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 39.0 m80 -49.83 -36.96 28.58 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.592 0.558 . . . . 0.0 110.408 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.35 -47.67 85.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.694 0.797 . . . . 0.0 111.199 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -65.76 -39.28 90.89 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.942 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -64.34 -43.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.0 mt -62.95 -50.16 71.91 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.273 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.2 -42.32 96.68 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.366 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -63.81 -51.33 65.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.31 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.1 p -60.04 -42.06 93.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -68.02 -38.98 83.22 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.2 -43.34 61.5 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -57.52 -45.24 85.22 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.89 0.876 . . . . 0.0 111.04 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.88 -40.61 96.01 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.59 -30.49 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.703 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.1 tt -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.507 ' O ' ' HG2' ' B' ' 46' ' ' MET . 68.2 mt -66.65 -45.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.622 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -57.07 -36.0 70.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 120.572 0.225 . . . . 0.0 111.352 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' B' ' 45' ' ' PHE . 37.0 ttmt -55.7 -48.94 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.911 0.884 . . . . 0.0 109.958 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.51 ' CE2' ' HD2' ' B' ' 44' ' ' LYS . 75.4 m-85 -86.79 -20.67 27.25 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 11.9 mmt . . . . . 0 C--O 1.247 0.943 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.9 tm? -58.17 -50.79 72.28 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 124.094 0.871 . . . . 0.0 110.59 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mmmp? -68.55 -33.7 74.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 123.588 0.555 . . . . 0.0 109.766 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.0 -50.11 75.32 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.055 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.533 HG12 ' HB3' ' B' ' 20' ' ' LEU . 73.4 mt -55.18 -48.1 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 123.905 0.753 . . . . 0.0 111.16 177.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 12.6 mm-40 -60.99 -49.75 76.16 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.336 0.397 . . . . 0.0 110.731 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.9 t30 -59.2 -46.16 89.17 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -66.0 -44.91 83.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.885 0.474 . . . . 0.0 110.552 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -55.03 -50.73 68.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.471 1.109 . . . . 0.0 108.256 175.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' ILE . 8.4 mtpm? -65.17 -34.15 77.7 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.434 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 43.6 mt-10 -61.71 -42.75 99.36 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -44.26 77.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.678 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 73.8 mt -57.59 -40.97 78.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.944 0.402 . . . . 0.0 110.008 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.71 -33.45 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.995 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 10' ' ' ILE . 96.1 mt -73.78 -49.56 24.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.717 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 10.8 m -62.99 -31.24 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.334 175.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.3 -48.92 76.08 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -69.43 -18.73 63.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.695 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 56.3 t-80 -56.57 -40.99 76.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.0 46.52 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.401 -0.905 . . . . 0.0 112.682 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 23.2 mt -94.07 152.93 18.43 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.364 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.12 158.06 36.04 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 51.8 t-80 -59.0 -38.56 79.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 118.524 0.602 . . . . 0.0 110.04 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.75 -35.16 79.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.5 mmtp -63.81 -45.66 88.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.496 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.55 -42.68 81.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 124.026 0.828 . . . . 0.0 109.853 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 71.5 mt -66.97 -52.3 44.49 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -41.09 97.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.567 0.222 . . . . 0.0 111.377 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 77.1 t80 -61.59 -51.47 68.42 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.382 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.485 ' HB3' HD13 ' A' ' 18' ' ' ILE . 22.3 p -61.44 -41.29 96.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 46.6 mtp180 -63.72 -42.28 97.95 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 21.3 t0 -73.73 -44.63 55.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.988 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 6.7 tt -62.02 -38.28 88.07 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.97 -37.23 79.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.213 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -74.02 -34.26 64.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.566 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.27 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 46' ' ' MET . 56.8 mt -68.37 -57.11 10.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.304 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -55.57 -34.35 64.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.133 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -57.84 -49.92 75.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.363 0.602 . . . . 0.0 109.823 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -76.42 -33.92 58.8 Favored 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.5 mtp . . . . . 0 C--N 1.323 -0.578 0 O-C-N 123.476 0.485 . . . . 0.0 109.998 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.43 81.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.73 -37.49 87.54 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.606 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.8 -43.03 89.91 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 20' ' ' LEU . 62.6 mt -59.12 -49.09 84.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.591 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -57.23 -50.19 73.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.625 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.49 -45.14 89.31 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.547 0.529 . . . . 0.0 111.967 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.412 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 15.1 tppt? -66.86 -43.57 83.27 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.93 0.395 . . . . 0.0 110.468 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -56.43 -48.86 76.13 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 124.295 1.038 . . . . 0.0 108.732 174.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 18' ' ' ILE . 84.6 mttt -62.38 -38.85 91.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.539 0.736 . . . . 0.0 112.131 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.68 -44.59 90.26 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.407 0.622 . . . . 0.0 109.658 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -40.96 95.22 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.106 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -60.49 -40.64 84.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.5 mt-30 -58.66 -41.25 85.68 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.293 0.568 . . . . 0.0 109.975 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 10' ' ' ILE . 4.8 mp -63.65 -52.67 59.7 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.363 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.7 m -66.36 -27.65 41.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.327 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.36 62.91 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 122.156 -0.34 . . . . 0.0 111.571 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -72.59 -14.2 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.088 0.47 . . . . 0.0 109.963 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.7 t60 -63.16 -38.15 90.05 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 172.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.08 49.65 0.08 OUTLIER Glycine 0 N--CA 1.428 -1.891 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.441 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.1 mt -88.91 152.35 21.78 Favored 'General case' 0 CA--C 1.486 -1.49 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.155 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.404 ' O ' HG23 ' B' ' 31' ' ' VAL . 9.9 m-20 -71.35 166.52 21.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.6 t-80 -61.32 -41.01 96.31 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.486 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 14.0 m-20 -68.91 -36.6 78.22 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.22 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.6 mmtm -57.19 -47.38 81.41 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.095 0.247 . . . . 0.0 110.552 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' ASP . 35.1 t -60.39 -40.94 85.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.543 0.527 . . . . 0.0 110.233 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.0 mt -66.39 -53.28 37.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.0 mt -62.85 -42.93 99.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.403 ' CE2' HD22 ' B' ' 38' ' ' LEU . 78.6 t80 -62.76 -53.59 51.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 56.4 p -57.96 -39.14 77.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -75.34 -38.72 60.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 16.7 t70 -74.52 -32.19 62.4 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 42' ' ' ILE . 31.0 tp -62.26 -51.79 66.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.496 173.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.74 -45.41 78.03 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.352 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 73.6 tttt -58.22 -51.82 68.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 125.962 1.705 . . . . 0.0 111.161 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.14 -39.96 80.12 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.315 0.646 . . . . 0.0 110.505 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.2 mt -68.64 -54.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.163 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -54.09 -30.92 50.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.464 0.706 . . . . 0.0 112.333 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -49.1 76.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.562 0.696 . . . . 0.0 110.096 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.85 -27.44 57.82 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 50.3 mtp . . . . . 0 C--N 1.312 -1.059 0 CA-C-O 121.626 0.727 . . . . 0.0 110.467 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.52 -46.22 76.93 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -35.31 80.63 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 176.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -59.96 -38.15 81.64 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.974 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.11 -35.72 56.15 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.487 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.35 -50.29 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.03 -48.11 76.6 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.5 t-20 -56.23 -53.32 58.57 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.67 -35.19 74.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.9 ttpt -57.99 -49.19 77.69 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 124.424 1.089 . . . . 0.0 109.093 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.32 -34.81 78.15 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.75 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 12' ' ' ASN . 15.4 mm-40 -55.33 -44.31 75.76 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.745 0.783 . . . . 0.0 108.923 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -42.96 67.23 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.2 mt -59.93 -43.28 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.16 -33.24 75.05 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' B' ' 10' ' ' ILE . 4.7 mp -67.06 -54.74 18.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.778 175.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 8.8 m -61.93 -32.01 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.782 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.11 -48.65 79.2 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 122.944 0.498 . . . . 0.0 111.346 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.79 -18.64 64.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.5 t-80 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.328 0.392 . . . . 0.0 110.467 173.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.01 -9.29 0.44 Allowed Glycine 0 N--CA 1.436 -1.333 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.071 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -55.35 141.1 37.37 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.1 m-20 -76.77 163.59 26.66 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.494 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 79.3 m80 -58.33 -39.4 79.35 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 123.627 0.58 . . . . 0.0 110.558 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.52 -35.22 79.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.444 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.76 -38.62 83.68 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.116 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 27' ' ' ASP . 94.7 t -63.92 -39.48 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.878 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.7 mt -60.09 -47.66 84.94 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 176.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.13 -46.74 82.76 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.6 -48.98 75.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.487 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 p -60.66 -40.26 91.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -74.16 -40.05 62.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.479 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.84 -39.09 90.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.891 0.853 . . . . 0.0 108.807 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.01 -43.24 83.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.711 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.1 -42.12 97.93 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.939 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.88 -40.71 95.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.236 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 39.3 tp -61.94 -41.63 98.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.675 ' O ' ' HG3' ' A' ' 46' ' ' MET . 67.6 mt -65.85 -56.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.871 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -52.87 -34.42 54.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.714 0.806 . . . . 0.0 112.361 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.91 -49.62 76.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.481 0.712 . . . . 0.0 110.578 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.0 m-85 -80.96 -19.32 44.39 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 77.1 mtp . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.024 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -33.56 71.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -61.22 -44.82 96.67 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.02 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -43.84 91.45 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.107 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 20' ' ' LEU . 66.9 mt -48.89 -54.22 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.072 0.549 . . . . 0.0 112.196 173.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.36 -44.64 92.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.191 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.96 -47.11 86.29 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.247 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -70.97 -40.51 71.89 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 123.827 0.851 . . . . 0.0 110.539 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -52.55 -51.6 58.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.702 1.201 . . . . 0.0 108.738 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' B' ' 18' ' ' ILE . 58.8 mtpt -66.22 -34.78 78.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.661 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.88 -42.08 98.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.459 0.647 . . . . 0.0 109.776 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -70.42 -42.86 71.03 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.298 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.66 -42.24 59.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 109.665 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.24 -24.81 64.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.321 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.47 -47.09 18.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.4 t -61.66 -36.29 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 121.302 0.572 . . . . 0.0 109.724 174.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.583 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.97 -48.27 79.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.199 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -72.46 -4.88 32.99 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.873 0.368 . . . . 0.0 111.864 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.3 t-80 -68.63 -27.01 65.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.966 174.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.07 2.26 1.21 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.014 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -61.23 139.25 58.18 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.536 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 16.3 m-20 -74.03 171.69 13.03 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.91 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.476 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 14.9 p-80 -63.06 -42.68 99.75 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.071 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 20.5 m-20 -60.63 -39.42 88.16 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.584 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.536 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 33.9 mmtm -56.24 -47.45 78.47 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.551 0.532 . . . . 0.0 110.017 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 27' ' ' ASP . 36.1 t -63.02 -42.22 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.79 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.8 mt -63.4 -46.09 88.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.8 mt -66.12 -45.54 80.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.494 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.413 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 89.0 t80 -63.6 -50.31 69.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.245 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 49.6 p -60.46 -36.97 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 8.9 ptm180 -75.63 -37.69 59.52 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.53 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.03 -30.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.837 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.82 -42.91 90.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.933 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.91 -41.42 99.45 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.97 -48.41 80.05 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.208 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 29.1 tp -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.379 0.671 . . . . 0.0 111.806 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.11 -48.66 84.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.997 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.26 -28.94 70.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.7 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 37.7 ttmt -60.04 -27.51 66.99 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.464 1.106 . . . . 0.0 110.293 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD21 ' A' ' 26' ' ' LEU . 44.3 m-85 -111.34 -26.16 9.28 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 97.8 mmm . . . . . 0 C--N 1.297 -1.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.362 -176.674 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.586 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 79.4 mt-30 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.991 0.424 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.17 -44.66 45.38 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -31.32 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 21.1 t-20 -58.39 -40.52 82.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.632 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 43.5 mmtm -76.0 -34.2 59.72 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.14 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.44 -51.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 18.9 mm-40 -58.32 -48.74 79.57 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.714 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.47 -52.65 62.94 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.077 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 2.0 tppp? -69.79 -35.91 75.26 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 42' ' ' ILE . 35.8 ttpt -57.97 -46.74 84.67 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.007 0.923 . . . . 0.0 109.256 175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 8.8 mtpm? -68.46 -35.67 77.91 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 mt-10 -57.17 -43.43 82.58 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -68.01 -44.54 76.31 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.694 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.92 -42.56 86.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.57 -33.4 73.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.354 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 91.6 mt -67.85 -52.07 41.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.424 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.5 m -62.64 -32.01 54.03 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.138 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.927 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.69 63.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.881 0.472 . . . . 0.0 111.449 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 12.7 ptm180 -61.94 -18.5 60.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.953 0.901 . . . . 0.0 111.607 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.6 t-80 -54.36 -39.27 66.98 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 172.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.65 13.21 0.38 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.948 -1.12 . . . . 0.0 114.22 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -62.67 149.84 42.53 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 m-20 -69.43 157.44 37.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 41.1 m80 -62.35 -37.49 85.84 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.071 0.462 . . . . 0.0 110.754 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.7 t70 -62.9 -39.54 94.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.503 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 31.9 mmtp -62.39 -41.2 98.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.711 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.9 t -63.14 -41.66 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.8 mt -64.89 -47.82 76.45 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.715 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 89.2 mt -60.38 -47.29 86.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.817 0.341 . . . . 0.0 110.804 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.14 -49.94 73.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.219 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.2 p -60.23 -41.83 93.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.95 -35.2 64.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.13 -33.55 63.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.934 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.923 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.29 -46.81 88.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.24 -49.79 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.324 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 54.3 tp -58.26 -47.16 84.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 123.375 0.67 . . . . 0.0 111.413 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.93 -55.32 22.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -54.7 -33.26 60.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.576 0.35 . . . . 0.0 111.861 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 38.6 ttmt -57.99 -42.66 85.61 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.03 0.932 . . . . 0.0 110.086 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.53 -31.1 22.9 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.107 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 48.2 mtp . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -28.02 66.95 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -63.68 -43.49 96.5 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.85 -39.7 93.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.966 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.79 -51.94 66.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.518 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -54.19 -48.39 71.03 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.58 0.55 . . . . 0.0 110.368 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -61.45 -49.39 77.0 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.535 ' HE2' ' HD2' ' A' ' 13' ' ' LYS . 1.4 tpmt? -64.99 -41.34 95.49 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.553 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.7 ttpt -53.7 -53.15 56.13 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 124.975 1.31 . . . . 0.0 109.048 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.01 -38.06 89.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.293 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 45.5 mt-10 -61.38 -41.19 96.71 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 110.708 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.41 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -67.28 -45.42 76.63 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 178.564 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.7 mt -57.18 -42.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 O-C-N 123.569 0.543 . . . . 0.0 109.705 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -59.52 -32.01 69.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.885 0.474 . . . . 0.0 111.563 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 92.1 mt -79.09 -50.7 10.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.823 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.19 -27.95 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 C-N-CA 120.089 -0.644 . . . . 0.0 112.018 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -64.74 -46.3 82.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.995 0.426 . . . . 0.0 111.104 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 20' ' ' LEU . 19.7 ptp180 -73.84 -11.51 60.39 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.555 -177.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.95 -33.31 75.52 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.661 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.22 -18.88 0.23 Allowed Glycine 0 N--CA 1.434 -1.485 0 C-N-CA 119.4 -1.381 . . . . 0.0 112.69 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.4 mp -50.16 124.37 10.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.569 ' O ' HG23 ' B' ' 31' ' ' VAL . 17.0 t70 -73.76 168.59 19.08 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.058 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.65 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 61.1 m80 -57.53 -32.7 67.33 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.71 -36.05 77.96 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 34.4 mmtm -67.21 -44.71 78.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 114.418 -1.264 . . . . 0.0 109.963 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 27' ' ' ASP . 27.3 t -62.65 -40.8 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.631 0.582 . . . . 0.0 110.032 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.0 mt -62.37 -57.06 12.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.14 -42.63 95.26 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.022 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -63.85 -49.51 72.51 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.4 ' HB3' HD13 ' B' ' 18' ' ' ILE . 37.0 p -62.12 -36.51 81.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.769 0.319 . . . . 0.0 111.441 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.5 mtt180 -63.5 -52.37 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.679 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.05 -32.44 63.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.174 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.93 -42.91 97.22 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.28 -39.69 95.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -61.46 -48.65 80.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.173 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -57.81 -47.03 83.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.527 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.486 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.8 mt -61.52 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.061 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -53.29 -35.94 60.63 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 21.0 ttmm -57.19 -55.53 33.5 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 30.5 m-85 -78.3 -21.35 49.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 17.6 mtp . . . . . 0 C--N 1.314 -0.976 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.368 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 121.165 0.507 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.46 -44.02 88.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.5 mmmt -63.56 -32.44 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.049 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.31 -43.36 91.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -62.33 -45.27 93.99 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.552 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' B' ' 20' ' ' LEU . 62.0 mt -55.62 -48.33 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 122.831 0.452 . . . . 0.0 111.749 174.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 48.4 mm-40 -57.26 -48.31 79.18 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 120.723 0.297 . . . . 0.0 110.563 177.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.86 -45.48 94.38 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.495 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 13.6 tppt? -64.48 -45.16 88.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.109 0.481 . . . . 0.0 110.851 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' A' ' 18' ' ' ILE . 39.1 ttpt -56.3 -49.01 75.5 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 124.518 1.127 . . . . 0.0 108.561 176.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 41.6 mttm -63.54 -42.04 98.43 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.926 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' HD22 ' A' ' 20' ' ' LEU . 39.1 mt-10 -55.33 -44.72 76.16 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -65.96 -45.7 80.79 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.049 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 14' ' ' LYS . 69.4 mt -56.64 -39.09 60.8 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.715 0 O-C-N 123.694 0.621 . . . . 0.0 109.458 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -56.66 -43.98 80.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.189 0.306 . . . . 0.0 111.609 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD22 ' O ' ' A' ' 16' ' ' GLU . 1.8 mm? -67.22 -52.09 45.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.421 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.3 p -66.93 -32.16 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 119.771 -0.771 . . . . 0.0 113.023 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.31 -48.56 81.21 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 122.168 -0.333 . . . . 0.0 110.932 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -70.49 -19.33 62.94 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.535 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.9 t-80 -51.36 -56.01 15.4 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.591 0.557 . . . . 0.0 110.02 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.63 16.48 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.934 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -77.42 145.3 37.25 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.573 0.701 . . . . 0.0 111.887 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.9 m-20 -83.54 175.16 9.98 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.475 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 52.5 p-80 -59.73 -44.18 93.88 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.418 0.627 . . . . 0.0 109.681 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.9 p-10 -63.86 -35.34 80.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.726 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -68.21 -41.11 81.81 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.419 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.5 t -64.1 -38.85 83.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mt -66.82 -47.96 70.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.291 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 95.4 mt -62.16 -44.05 97.48 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' B' ' 41' ' ' LEU . 60.8 t80 -62.33 -54.81 35.15 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -59.01 -37.81 77.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 6.1 ptm180 -74.14 -37.86 63.92 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' HD21 ' B' ' 41' ' ' LEU . 26.6 t0 -74.29 -40.19 62.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.021 1.328 . . . . 0.0 110.383 174.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -41.39 87.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.771 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 55.6 mtmt -63.32 -42.39 99.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.182 178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.55 -44.15 97.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.221 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.625 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.09 -54.34 34.65 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.411 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.19 -29.61 61.11 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.2 0.6 . . . . 0.0 111.645 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -65.68 -45.34 83.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.87 -32.73 34.84 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.578 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 39.1 mtp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.199 0.523 . . . . 0.0 109.889 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -32.74 73.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.11 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -64.76 -39.57 93.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.855 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.03 -36.02 79.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.535 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 20' ' ' LEU . 69.1 mt -59.33 -52.01 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 14' ' ' LYS . 11.8 mm-40 -53.73 -55.08 29.42 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.991 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -67.45 -39.17 85.35 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.455 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.1 ttpt -55.86 -50.82 69.56 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 124.579 1.152 . . . . 0.0 108.427 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -60.25 -40.39 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.123 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.9 -41.07 90.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.178 0.514 . . . . 0.0 109.914 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -67.42 -43.33 81.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.761 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 73.6 mt -59.35 -39.91 80.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -59.43 -40.59 87.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.616 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.1 mp -64.73 -55.4 20.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.392 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 5.5 m -62.13 -27.54 42.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.667 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.49 -47.09 65.0 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -73.09 -10.55 59.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.101 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 50.9 t-80 -62.86 -39.5 94.6 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.67 36.9 0.04 OUTLIER Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.881 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.577 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.3 mt -88.13 152.01 22.3 Favored 'General case' 0 CA--C 1.487 -1.445 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.122 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.0 m-20 -78.26 162.55 26.46 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 173.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 13.6 t-80 -62.17 -38.53 89.39 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 118.932 0.787 . . . . 0.0 110.582 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.63 -28.91 68.85 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.23 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 30.8 mmtp -66.77 -45.63 77.9 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.8 t -59.23 -43.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.744 0.653 . . . . 0.0 109.58 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 74.4 mt -61.81 -54.6 39.97 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.081 0.552 . . . . 0.0 111.15 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -39.2 93.51 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.345 0.403 . . . . 0.0 111.526 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.68 -52.99 38.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.108 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.1 p -58.04 -37.99 75.41 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 15.9 ptm180 -73.91 -44.41 55.23 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.614 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.38 -30.21 65.86 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.795 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.458 ' O ' HG13 ' B' ' 42' ' ' ILE . 41.5 tp -64.65 -48.43 74.84 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 123.328 0.651 . . . . 0.0 110.2 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.92 -43.23 91.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.914 0.864 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -65.28 -40.57 94.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 C-N-CA 125.399 1.48 . . . . 0.0 111.895 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 34' ' ' PHE . 2.3 tm? -62.14 -41.72 98.54 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.701 ' O ' ' HG3' ' B' ' 46' ' ' MET . 61.6 mt -68.97 -49.44 63.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.605 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -53.72 -32.41 51.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.203 0.601 . . . . 0.0 112.276 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -57.54 -40.65 79.32 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 122.019 0.914 . . . . 0.0 109.759 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.44 ' HB3' HD21 ' A' ' 26' ' ' LEU . 64.2 m-85 -90.47 -22.05 21.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.084 -0.962 . . . . 0.0 113.424 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.701 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 53.8 mtp . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 121.159 0.504 . . . . 0.0 110.856 -177.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.13 -44.51 95.37 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -37.32 86.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.87 178.614 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.99 -40.96 99.34 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.37 -39.81 92.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.556 177.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.469 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.6 mt -60.09 -50.52 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.456 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.86 -52.47 64.98 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.047 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -66.56 -40.29 88.95 Favored 'General case' 0 C--N 1.312 -1.047 0 O-C-N 123.721 0.638 . . . . 0.0 111.607 -174.32 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -67.82 -42.47 81.43 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.147 0.499 . . . . 0.0 110.153 -177.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' A' ' 42' ' ' ILE . 34.6 ttpt -60.54 -45.25 94.57 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.118 0.967 . . . . 0.0 109.212 174.582 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 38.2 mttp -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 122.852 0.461 . . . . 0.0 111.684 178.292 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.9 mt-10 -56.71 -39.84 74.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.729 174.111 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.2 tm? -68.95 -44.71 72.46 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.0 mt -57.26 -40.03 71.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.158 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 94.0 mt-30 -65.19 -33.12 75.26 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.002 178.326 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 94.9 mt -71.06 -49.92 39.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.292 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.6 t -61.05 -33.27 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-O 121.59 0.71 . . . . 0.0 110.215 175.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.36 69.54 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.004 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -67.19 -19.52 65.57 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.728 0.299 . . . . 0.0 111.517 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 80.4 t60 -57.81 -29.53 64.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.04 174.168 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.75 39.98 0.25 Allowed Glycine 0 N--CA 1.431 -1.649 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.29 177.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.8 mt -94.95 147.41 23.41 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.979 177.074 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.8 m-20 -72.87 168.01 19.79 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 175.287 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.613 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.4 t60 -58.16 -42.89 86.97 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.261 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.18 -39.95 94.41 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.106 178.226 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.0 mmtm -63.93 -47.51 80.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.7 t -58.98 -42.43 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.391 0.432 . . . . 0.0 109.966 178.515 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 72.6 mt -65.69 -46.95 77.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.31 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.99 -46.63 89.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.33 0.394 . . . . 0.0 110.295 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.77 -53.25 58.52 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.108 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -59.79 -41.64 91.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.345 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -72.34 -36.97 68.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.646 -178.45 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.63 -40.83 72.88 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -61.9 -47.11 86.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.722 176.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.31 -49.57 75.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.41 -31.74 72.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 52.3 tp -65.79 -43.79 87.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.409 0.623 . . . . 0.0 109.54 175.824 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' MET . 76.2 mt -67.4 -47.17 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.04 -33.37 70.68 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.411 0.444 . . . . 0.0 110.859 178.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.4 ttmm -57.49 -49.04 77.58 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.443 0.64 . . . . 0.0 109.672 176.125 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.89 -19.26 58.97 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.63 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 53.1 mtp . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.366 0.603 . . . . 0.0 110.079 175.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.4 mmmt -61.29 -39.25 89.74 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.47 176.279 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.4 -42.12 98.77 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.453 0.471 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -61.18 -45.23 95.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.499 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.25 -50.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 30.1 mm-40 -55.96 -51.93 65.94 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.7 0.625 . . . . 0.0 110.512 178.094 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -59.45 -46.96 87.27 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -68.01 -38.66 82.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.883 0.373 . . . . 0.0 110.155 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -56.43 -48.84 76.17 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 108.963 176.077 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 60.1 mtpt -64.98 -39.72 93.89 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.949 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.509 ' O ' HD22 ' B' ' 20' ' ' LEU . 47.4 mt-10 -58.59 -40.59 83.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.612 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.964 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.3 mt -53.76 -40.84 45.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 O-C-N 123.958 0.786 . . . . 0.0 109.115 179.273 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -56.92 -42.05 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.013 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.509 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.0 mm? -69.87 -48.68 57.85 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.721 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 17.0 t -62.57 -35.19 69.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-O 121.329 0.585 . . . . 0.0 110.942 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -67.61 -45.12 76.35 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.709 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -75.76 -5.29 45.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 0.0 111.038 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 33.4 t-80 -68.58 -38.95 81.12 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.13 39.15 0.03 OUTLIER Glycine 0 N--CA 1.433 -1.533 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.872 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' B' ' 30' ' ' LYS . 63.3 mt -96.38 118.44 32.91 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-O 121.869 0.843 . . . . 0.0 110.304 176.044 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.73 67.03 5.39 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.773 -177.06 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.248 1.819 . . . . 0.0 115.221 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.24 -34.61 77.82 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 26' ' ' LEU . 43.3 mmtm -61.8 -42.36 98.92 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.626 174.496 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.25 -45.45 98.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 85.0 mt -58.65 -57.36 13.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.653 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.7 -39.67 85.36 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 123.318 0.386 . . . . 0.0 111.567 -178.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 42' ' ' ILE . 57.2 t80 -60.9 -53.39 57.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.706 177.094 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -36.19 76.57 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.0 mtt180 -66.89 -45.62 77.46 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 122.722 0.409 . . . . 0.0 111.344 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.5 t70 -74.45 -38.44 62.98 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.034 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.48 -45.49 93.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 175.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.63 -40.7 88.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.502 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 21.3 pttp -76.03 -33.7 59.65 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.669 -177.472 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' HE2' ' B' ' 44' ' ' LYS . 51.9 tp -63.75 -38.32 90.68 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.178 0.513 . . . . 0.0 110.131 177.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 64.6 mt -71.2 -59.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.003 -178.453 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.06 -31.73 61.36 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 123.266 0.626 . . . . 0.0 111.776 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.422 ' HE2' HD12 ' B' ' 41' ' ' LEU . 40.0 ttpt -60.15 -56.14 25.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.247 0.619 . . . . 0.0 110.081 176.017 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.31 -26.76 64.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.79 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 61.6 mtp . . . . . 0 C--N 1.315 -0.933 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 29.7 pt20 . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 120.938 0.399 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.01 -45.53 70.3 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 5.5 mmmt -65.49 -34.54 78.5 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.827 176.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.7 -38.82 90.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.5 mttm -62.65 -47.11 85.14 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.319 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.603 HG12 ' HB3' ' B' ' 20' ' ' LEU . 81.3 mt -55.1 -49.1 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.171 175.009 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 13.0 mm-40 -57.35 -52.19 66.37 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 123.226 0.329 . . . . 0.0 110.516 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.92 -43.96 91.21 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.836 0.71 . . . . 0.0 110.984 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.25 -48.25 68.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.095 -178.097 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.5 ttpt -56.91 -44.4 82.34 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 124.513 1.125 . . . . 0.0 109.532 176.327 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 29.7 mtpp -64.93 -38.28 90.43 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.717 177.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.2 mt-10 -56.8 -41.32 77.54 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.346 0.594 . . . . 0.0 109.444 175.438 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -71.0 -44.53 65.72 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.419 -179.034 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.4 mt -58.91 -42.42 85.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.491 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 74.9 mt-30 -64.69 -32.31 73.93 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.775 177.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 89.8 mt -67.34 -53.32 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.532 -0.27 . . . . 0.0 111.443 176.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.0 m -62.69 -31.7 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.356 176.3 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.75 81.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.493 -179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.8 ptp180 -67.15 -18.93 65.5 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.614 0.571 . . . . 0.0 111.115 -178.073 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 41.9 t-80 -60.61 -28.93 68.9 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.807 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.33 41.25 0.2 Allowed Glycine 0 N--CA 1.427 -1.933 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.617 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.692 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 26.7 mt -91.04 151.12 21.16 Favored 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.618 175.216 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.9 m-20 -73.07 164.81 26.15 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 172.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 38.6 t-80 -60.54 -37.24 80.56 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 176.236 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.54 -45.81 77.18 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.899 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.5 mmtm -68.61 -39.99 80.61 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.957 -177.259 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.7 t -61.86 -42.04 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.078 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.6 mt -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.95 -45.35 90.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.04 -51.53 63.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.084 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -64.13 -35.25 80.14 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.4 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 1.7 ptm180 -72.34 -43.37 64.18 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.203 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.78 -44.62 80.85 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.7 -45.05 82.05 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.954 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.86 -38.72 86.89 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.168 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 1.3 mptm? -66.79 -39.5 87.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.803 175.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.78 -45.81 88.96 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.14 0.495 . . . . 0.0 109.799 175.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 46' ' ' MET . 60.1 mt -64.41 -46.89 91.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.736 177.625 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -54.63 -39.29 67.81 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 120.648 0.261 . . . . 0.0 110.853 178.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.87 -48.91 78.45 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.253 1.021 . . . . 0.0 111.052 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -81.09 -30.31 34.71 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.34 -178.04 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 98.8 mmm . . . . . 0 C--N 1.315 -0.893 0 CA-C-O 121.339 0.59 . . . . 0.0 109.44 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.472 0.177 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.63 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.329 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -70.74 -38.33 73.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.807 177.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.424 HG23 ' CD2' ' A' ' 17' ' ' LEU . 45.9 mt -59.75 -45.35 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.419 177.204 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -52.78 -55.43 22.95 Favored 'General case' 0 CA--C 1.507 -0.712 0 O-C-N 123.964 0.79 . . . . 0.0 111.07 175.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.9 -46.76 78.3 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.924 0.765 . . . . 0.0 111.696 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -65.21 -44.43 88.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.133 0.492 . . . . 0.0 110.991 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.537 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.9 ttpt -55.73 -48.04 75.89 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 124.576 1.15 . . . . 0.0 108.963 176.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.502 -1.226 . . . . 0.0 112.154 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.2 -44.24 75.14 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.24 -45.26 85.32 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.8 mt -58.65 -44.39 89.59 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 -178.344 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -59.38 -35.76 74.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.41 . . . . 0.0 110.611 177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.603 ' HB3' HG12 ' A' ' 10' ' ' ILE . 6.1 mp -67.12 -54.33 22.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.772 176.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.4 m -65.74 -27.02 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 CA-C-O 121.335 0.588 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.51 60.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.22 -15.79 63.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.977 0.418 . . . . 0.0 111.26 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 18.8 t-80 -57.29 -32.94 67.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.454 171.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.54 40.41 0.19 Allowed Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.374 178.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 20.9 mt -80.02 145.43 32.52 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.601 0.715 . . . . 0.0 112.296 177.711 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' B' ' 30' ' ' LYS . 4.9 m-20 -69.03 162.91 25.86 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 172.382 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 41.8 m80 -57.92 -43.11 86.04 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 118.062 0.392 . . . . 0.0 110.492 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -64.0 -35.59 81.21 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.864 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 32.2 mmtp -62.23 -45.05 95.06 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -177.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.58 -43.76 98.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.338 0.589 . . . . 0.0 109.482 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.8 mt -66.62 -46.25 76.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.728 -178.515 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.9 mt -68.03 -40.0 82.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.29 -51.1 65.16 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.325 0.391 . . . . 0.0 110.727 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -57.44 -45.08 85.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -73.03 -31.43 64.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 12.1 t70 -76.51 -40.82 48.98 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.65 -46.76 88.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.615 174.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.71 -45.1 93.15 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.39 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 55.9 pttt -69.21 -33.2 72.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.032 -177.779 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.01 -37.56 86.22 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.364 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' B' ' 46' ' ' MET . 55.9 mt -68.8 -53.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.233 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -51.69 -38.23 54.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.995 177.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.74 -56.11 24.3 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.67 0.606 . . . . 0.0 109.946 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -73.79 -24.71 59.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.636 -177.337 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 18.8 mtp . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.671 0.272 . . . . 0.0 110.925 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.75 -44.97 82.24 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.355 1.034 . . . . 0.0 110.402 177.277 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -43.8 95.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 178.873 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -66.52 -35.06 79.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.484 178.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.18 -42.46 99.38 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.373 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -59.83 -47.77 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.132 176.336 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 31.2 mm-40 -53.41 -52.38 59.56 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 124.063 0.852 . . . . 0.0 110.647 177.34 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -59.42 -48.1 82.91 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.191 -178.842 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.2 -36.57 79.77 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.095 0.474 . . . . 0.0 110.4 -176.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.57 -45.87 92.31 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 109.03 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.26 -40.78 94.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.234 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 mt-10 -55.62 -41.3 73.31 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.337 0.589 . . . . 0.0 109.858 174.609 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -45.74 69.41 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 178.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 15' ' ' LYS . 67.0 mt -54.96 -41.7 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 96.6 mt-30 -58.18 -44.17 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.455 0.702 . . . . 0.0 110.529 176.29 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 83.9 mt -66.63 -46.01 77.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HD13 ' A' ' 26' ' ' LEU . 49.0 t -59.76 -41.99 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 174.443 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.86 71.27 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.619 0.768 . . . . 0.0 111.949 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 20' ' ' LEU . 16.2 ptm180 -65.55 -19.01 65.75 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 25.7 t60 -59.05 -30.33 67.96 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.706 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 -2.67 1.65 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.724 -1.227 . . . . 0.0 113.768 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.4 mp -61.67 145.44 52.26 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 178.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.1 t70 -80.23 162.14 24.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.202 -1.363 . . . . 0.0 108.518 173.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.641 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 73.8 m80 -50.95 -40.41 57.34 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.786 0.834 . . . . 0.0 110.922 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.11 -40.44 86.86 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.401 0.619 . . . . 0.0 110.243 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.09 -43.45 92.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.542 179.448 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' ASP . 97.6 t -62.35 -44.06 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 123.117 0.567 . . . . 0.0 109.727 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 66.5 mt -63.41 -52.96 59.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 179.432 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -58.32 -42.33 86.5 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 120.607 0.242 . . . . 0.0 111.121 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 72.8 t80 -59.83 -51.45 69.69 Favored 'General case' 0 N--CA 1.435 -1.178 0 O-C-N 124.198 0.936 . . . . 0.0 111.024 177.694 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -67.03 -31.81 72.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.803 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 41.2 mtp85 -68.8 -40.28 79.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 109.884 178.656 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.13 -44.59 65.29 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 tp -57.35 -49.12 77.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.784 1.234 . . . . 0.0 111.752 177.411 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.68 -47.85 83.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 109.924 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.82 -34.04 77.42 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.155 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 50.7 tp -62.92 -41.29 99.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.381 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.632 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.6 mt -66.01 -55.17 20.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.369 178.018 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -53.86 -33.43 56.32 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.985 0.914 . . . . 0.0 111.275 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.66 -48.31 79.87 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 124.3 1.04 . . . . 0.0 110.631 177.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.23 -28.02 34.99 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.6 mtp . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 176.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.8 tm? . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -63.46 -37.4 87.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.272 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.6 -28.61 67.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.497 179.005 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -75.69 -32.84 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.9 -44.67 98.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.995 173.251 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 36.6 mm-40 -54.94 -49.83 70.37 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 123.845 0.716 . . . . 0.0 109.31 174.319 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.63 -52.3 60.33 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -67.88 -40.22 83.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.866 -176.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -53.8 -50.84 65.25 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.481 1.112 . . . . 0.0 108.475 174.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.61 -42.36 98.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.663 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -45.62 81.01 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.477 0.656 . . . . 0.0 110.493 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -42.12 82.0 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.698 -178.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.2 mt -59.17 -40.81 81.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.919 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.76 -27.85 69.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -75.96 -50.03 16.07 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.331 178.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 1.1 m -65.93 -27.57 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.822 176.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.37 -43.48 77.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -72.36 -8.61 55.88 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.424 . . . . 0.0 111.809 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 80.6 t60 -64.95 -26.11 68.16 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.269 172.581 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.79 38.16 0.22 Allowed Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.602 -0.809 . . . . 0.0 113.486 177.08 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 46.7 mt -93.41 151.98 19.4 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 121.58 0.705 . . . . 0.0 111.735 177.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.57 ' O ' HG23 ' B' ' 31' ' ' VAL . 13.1 m-20 -82.22 163.46 21.87 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 173.72 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.651 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 50.4 m80 -52.13 -39.88 60.54 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.088 0.404 . . . . 0.0 110.672 178.36 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.65 -47.36 85.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.479 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.554 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -63.16 -40.85 98.75 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.86 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 27' ' ' ASP . 33.2 t -62.55 -44.16 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.772 177.289 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.3 mt -63.33 -44.78 93.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.88 -41.06 92.03 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.367 0.417 . . . . 0.0 111.489 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.402 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 91.8 t80 -64.93 -49.09 71.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.44 178.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.481 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.4 p -61.43 -38.43 87.1 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.732 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 13.3 ptm180 -73.51 -37.24 65.74 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.11 -42.03 76.65 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.147 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.91 -41.66 97.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.996 177.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.269 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.5 -35.87 81.33 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.513 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.24 -44.64 96.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.354 0.597 . . . . 0.0 109.908 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' MET . 44.3 mt -68.97 -51.15 47.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.667 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.55 -27.92 68.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.802 0.334 . . . . 0.0 111.77 -179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.93 -54.59 43.1 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.761 0.824 . . . . 0.0 108.915 174.448 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' A' ' 26' ' ' LEU . 40.5 m-85 -74.74 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 14.6 mmt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.4 mt-30 . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 121.156 0.503 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.76 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -60.66 -42.25 96.67 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.349 0.66 . . . . 0.0 109.446 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.01 -35.26 80.08 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.1 mmmt -69.23 -39.3 78.62 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.29 -52.19 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -50.98 -52.12 45.91 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 123.967 0.792 . . . . 0.0 111.064 177.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.84 -49.26 77.25 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.742 -178.031 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -70.02 -37.81 75.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.108 0.48 . . . . 0.0 110.356 -176.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' HD12 ' A' ' 42' ' ' ILE . 28.7 ttpt -59.78 -44.33 93.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.669 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.54 -38.33 86.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.017 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.38 -39.0 75.13 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.18 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -69.85 -45.44 67.76 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.177 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.5 mt -56.4 -42.81 75.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 123.371 0.419 . . . . 0.0 109.996 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.79 -34.05 75.19 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 177.656 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.03 -50.22 30.32 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.385 -0.197 . . . . 0.0 110.76 177.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 17' ' ' LEU . 36.9 t -59.51 -38.0 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 121.397 0.618 . . . . 0.0 110.177 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.3 -52.06 51.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.656 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.72 -19.0 65.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.638 -177.327 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.07 -42.65 81.03 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.05 38.25 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.116 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.703 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 47.1 mt -92.17 150.83 20.7 Favored 'General case' 0 CA--C 1.483 -1.616 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.779 176.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.2 t70 -79.36 158.64 27.4 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 172.161 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.5 t-160 -54.14 -34.23 59.83 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 123.277 0.361 . . . . 0.0 110.398 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 t70 -63.68 -46.01 87.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 178.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.1 mmtp -59.35 -43.99 92.73 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.047 178.362 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' ASP . 22.0 t -60.9 -42.24 91.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 122.429 0.292 . . . . 0.0 110.511 178.195 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 55.7 mt -63.14 -46.06 89.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 62.3 mt -66.86 -46.3 75.47 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.456 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CE1' HG12 ' B' ' 42' ' ' ILE . 57.0 t80 -61.79 -49.29 76.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 123.643 0.589 . . . . 0.0 111.696 -178.249 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 p -57.37 -46.16 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.365 0.416 . . . . 0.0 111.74 -177.634 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.23 -30.79 62.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.446 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.83 -46.58 35.59 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.7 tp -59.02 -43.42 91.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.807 176.6 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.6 -37.8 79.52 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.727 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.37 -31.2 42.84 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.424 -0.91 . . . . 0.0 110.769 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 4.8 tt -61.48 -37.7 84.58 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.3 mt -68.43 -55.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.386 178.815 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -54.98 -29.17 56.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.2 1.0 . . . . 0.0 112.02 177.465 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.7 ttmt -60.85 -46.9 88.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.414 1.086 . . . . 0.0 109.594 175.323 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -83.08 -29.49 28.73 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.55 -179.008 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 78.6 mtp . . . . . 0 C--N 1.318 -0.795 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.93 71.66 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -58.46 -45.07 89.35 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.035 172.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -70.74 -32.42 69.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.849 177.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 17' ' ' LEU . 49.4 mt -59.11 -48.56 86.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.692 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -52.72 -55.17 24.61 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 123.688 0.618 . . . . 0.0 109.942 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 5.9 t30 -51.48 -51.57 53.96 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.029 0.83 . . . . 0.0 112.373 178.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.11 -44.67 75.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.049 0.452 . . . . 0.0 111.274 -174.554 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' B' ' 42' ' ' ILE . 30.2 ttpt -57.28 -43.79 83.43 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 124.124 0.97 . . . . 0.0 109.606 177.002 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -72.52 -32.97 66.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.711 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 42.9 mt-10 -59.84 -40.91 90.14 Favored 'General case' 0 C--N 1.343 0.308 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 173.191 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.3 tp -67.68 -44.77 76.99 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.617 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.55 -43.68 65.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 123.575 0.547 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 49.0 mt-30 -65.94 -29.36 69.75 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.453 178.214 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.46 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 78.2 mt -74.73 -48.72 24.21 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.37 -0.206 . . . . 0.0 110.784 176.395 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.1 t -61.58 -31.88 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.479 0.657 . . . . 0.0 109.563 176.275 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -44.26 77.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.004 177.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 12.6 ptp180 -76.45 0.32 20.17 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.227 0.537 . . . . 0.0 111.778 -178.301 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 23.0 t-80 -67.79 -27.58 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.376 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.63 32.33 0.66 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.156 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.3 mt -76.17 148.11 37.99 Favored 'General case' 0 CA--C 1.488 -1.416 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.617 178.121 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.49 160.51 32.59 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.563 171.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.528 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 3.0 t60 -55.46 -43.73 75.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -178.189 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.78 -35.21 79.83 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.479 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.1 mmtm -64.98 -44.68 88.53 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 123.491 0.495 . . . . 0.0 111.608 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.76 -45.07 98.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.281 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.5 mt -58.22 -55.07 39.78 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.84 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -42.33 98.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.044 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.411 ' CE1' HD22 ' A' ' 41' ' ' LEU . 87.9 t80 -61.33 -49.9 75.1 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.356 0.41 . . . . 0.0 110.54 179.1 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -60.11 -32.44 70.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.092 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -74.72 -52.01 12.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.094 0.473 . . . . 0.0 110.626 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.21 -40.49 96.28 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.385 -174.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -71.82 -37.73 70.28 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.586 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.93 -44.09 97.01 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.69 -39.26 88.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.85 177.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.82 -42.59 93.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.457 HD12 ' HD3' ' B' ' 14' ' ' LYS . 69.9 mt -71.85 -44.33 67.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.264 178.435 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.31 -33.55 67.81 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.151 0.5 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.93 -49.14 75.96 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.716 177.433 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.59 -28.95 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.34 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.96 -41.25 78.22 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 172.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 11.1 mmmt -58.83 -38.28 78.32 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.321 174.316 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.54 -41.26 89.64 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.81 0.694 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -65.0 -47.14 78.57 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -57.43 -50.04 78.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.417 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 14.5 mm-40 -54.57 -51.51 65.02 Favored 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 123.842 0.714 . . . . 0.0 111.025 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.7 t30 -61.68 -47.49 85.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.317 0.385 . . . . 0.0 111.53 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.32 -40.41 97.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.05 0.452 . . . . 0.0 110.213 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.0 ttpt -57.7 -52.38 65.68 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 109.258 176.217 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 7.1 mtpm? -65.81 -34.0 77.14 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.771 -177.563 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 38.8 mt-10 -62.73 -42.72 99.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.0 175.063 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.2 tp -64.25 -46.41 83.88 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.024 178.008 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.3 mt -54.56 -44.76 70.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 123.953 0.783 . . . . 0.0 110.023 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.524 0.515 . . . . 0.0 111.157 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.35 -47.63 66.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.3 t -63.56 -37.32 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 120.958 0.409 . . . . 0.0 109.922 176.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -65.11 -50.55 65.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.306 0.642 . . . . 0.0 112.489 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -61.71 -19.27 62.21 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.477 0.311 . . . . 0.0 111.834 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 76.5 t60 -57.44 -28.48 63.35 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.575 0.75 . . . . 0.0 111.155 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.32 -2.6 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.185 -1.484 . . . . 0.0 114.007 178.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -60.52 149.73 33.61 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.8 m-20 -87.34 176.42 7.54 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.286 177.168 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 16.1 m-70 -66.22 -43.63 86.12 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.509 -178.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.84 -32.02 73.15 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 178.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.27 -45.71 79.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.456 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 27' ' ' ASP . 64.0 t -62.98 -40.48 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 78.8 mt -61.75 -53.51 55.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 177.634 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.864 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.86 -52.0 62.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 18' ' ' ILE . 71.8 p -66.15 -38.1 87.29 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.719 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.4 ptm180 -68.69 -34.02 74.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.953 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.9 -48.04 48.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.818 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 42' ' ' ILE . 31.3 tp -54.3 -50.74 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.769 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.76 -48.68 78.97 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.306 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.89 -36.57 83.77 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.733 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.51 -45.76 92.62 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.373 0.669 . . . . 0.0 110.387 177.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.644 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.1 mt -64.39 -56.84 14.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.734 -178.849 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.3 -29.37 61.11 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.069 0.948 . . . . 0.0 111.872 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.65 -49.82 69.51 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.647 0.779 . . . . 0.0 109.919 175.262 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' HB3' HD21 ' B' ' 26' ' ' LEU . 40.5 m-85 -73.82 -33.1 64.03 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.637 -179.262 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 68.2 mtp . . . . . 0 C--N 1.308 -1.211 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 mmmt -63.18 -36.74 84.63 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.041 177.021 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.46 -43.03 97.31 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.516 0.51 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.5 -46.61 89.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.01 -51.04 73.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 O-C-N 123.855 0.722 . . . . 0.0 110.206 178.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 31.4 mm-40 -57.22 -52.97 63.17 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.561 0.538 . . . . 0.0 111.208 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.73 -49.64 74.61 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 123.809 0.693 . . . . 0.0 110.924 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.78 -46.83 77.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.002 -176.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.554 ' O ' HG13 ' B' ' 18' ' ' ILE . 32.8 ttpt -57.0 -46.42 82.31 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.606 1.163 . . . . 0.0 110.208 177.085 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 8.0 mtpm? -67.49 -36.01 80.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.124 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' NE2' ' B' ' 19' ' ' GLN . 47.4 mm-40 -60.93 -35.81 77.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.14 0.495 . . . . 0.0 111.037 174.002 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -72.31 -45.46 59.87 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.873 177.337 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 14' ' ' LYS . 87.3 mt -54.69 -43.42 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.483 0.489 . . . . 0.0 110.156 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' B' ' 16' ' ' GLU . 43.8 mt-30 -59.08 -39.41 82.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.128 176.788 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.56 -48.64 66.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.044 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.572 ' O ' HD13 ' B' ' 26' ' ' LEU . 25.4 t -60.0 -42.67 90.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.036 0.446 . . . . 0.0 110.148 175.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 112.103 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.09 -9.94 55.14 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 80.7 t60 -66.47 -30.14 70.41 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 120.775 0.321 . . . . 0.0 110.426 176.038 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.72 5.51 0.25 Allowed Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 119.258 -1.449 . . . . 0.0 113.842 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -63.76 151.18 42.81 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.853 0.835 . . . . 0.0 113.222 176.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.479 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.0 m-20 -85.6 169.18 13.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 173.275 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.529 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 64.8 m80 -60.49 -39.22 86.92 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 117.917 0.326 . . . . 0.0 110.74 179.282 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 52.9 m-20 -63.98 -39.68 94.67 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.159 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 48.9 mmtt -58.7 -44.41 90.31 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 178.18 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.8 t -62.13 -46.05 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.465 0.478 . . . . 0.0 109.819 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.9 mt -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.66 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.7 mt -70.43 -39.43 74.4 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -65.1 -51.98 58.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.301 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 p -60.49 -37.86 82.45 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.324 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -73.1 -36.68 66.81 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.997 -178.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 14.1 t70 -69.59 -45.18 69.22 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.139 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.553 176.523 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.34 -41.04 88.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.909 -179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 12.8 pttm -70.91 -33.7 70.81 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.557 -177.611 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.35 -38.02 89.52 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' B' ' 46' ' ' MET . 74.5 mt -68.1 -55.18 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.803 179.312 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.43 -42.76 61.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.484 0.713 . . . . 0.0 111.072 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.16 -48.46 78.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 178.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -80.03 -25.2 40.27 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.328 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.7 mtp . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 26.1 mm-40 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.821 0.343 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.4 -50.18 16.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.83 -34.05 72.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.588 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 13.5 t-20 -57.77 -41.54 82.21 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.288 1.435 . . . . 0.0 110.471 177.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 44.5 mmtm -75.36 -32.47 60.86 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.1 mt -67.91 -44.43 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.949 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 11.4 mm-40 -58.76 -50.62 73.25 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.702 0.626 . . . . 0.0 110.051 177.391 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.68 -50.22 74.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.87 -179.096 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.48 -41.78 92.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.188 0.518 . . . . 0.0 110.544 -175.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.9 ttpt -59.9 -44.8 94.05 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 124.294 1.037 . . . . 0.0 109.617 175.53 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 62.4 mtpt -65.94 -37.35 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.38 -42.28 81.83 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.116 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.6 -46.15 80.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.387 178.919 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.3 mt -57.54 -41.8 79.74 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 123.661 0.601 . . . . 0.0 110.032 -178.435 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.43 -39.47 93.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 176.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.9 -49.8 55.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.61 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.542 ' O ' HD13 ' A' ' 26' ' ' LEU . 6.8 p -66.31 -31.75 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.779 177.324 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -60.28 -51.54 69.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.791 0.329 . . . . 0.0 110.582 175.393 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -66.63 -17.62 64.93 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 32.6 t-80 -54.56 -41.45 69.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.296 173.799 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.77 -7.48 0.13 Allowed Glycine 0 N--CA 1.438 -1.226 0 C-N-CA 119.496 -1.335 . . . . 0.0 112.914 -176.732 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.57 144.56 31.31 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-O 122.164 0.983 . . . . 0.0 113.392 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.9 m-20 -78.35 159.78 28.19 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.457 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -64.6 -26.93 68.62 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 118.314 0.506 . . . . 0.0 111.898 178.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.3 t70 -68.05 -40.35 82.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.61 173.518 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -61.16 -38.25 85.79 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.154 177.545 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.1 t -65.09 -38.52 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 123.53 0.519 . . . . 0.0 109.828 -178.385 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -47.0 79.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.775 177.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 63.0 mt -66.65 -45.1 80.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.558 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 87.6 t80 -61.64 -52.35 64.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.08 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.4 p -62.49 -37.2 85.08 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -175.171 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.94 -41.43 64.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -178.361 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.96 -45.71 66.82 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 42' ' ' ILE . 40.8 tp -54.97 -50.07 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.599 1.16 . . . . 0.0 111.558 178.4 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.45 -47.47 76.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.097 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -67.84 -34.8 77.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.067 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.24 -40.61 90.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.056 0.455 . . . . 0.0 110.329 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.8 mt -65.97 -56.99 12.34 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.046 -179.691 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.97 -31.26 66.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.24 -178.471 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.84 -49.67 75.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.56 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 10.0 m-85 -74.04 -33.77 63.85 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.435 -179.616 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 62.6 mtp . . . . . 0 C--O 1.216 -0.703 0 O-C-N 123.612 0.57 . . . . 0.0 110.612 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -64.05 -34.46 78.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.761 179.085 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.128 177.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.02 -37.59 86.29 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 177.305 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.23 -47.62 91.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.865 176.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 72.3 mm-40 -59.58 -50.02 75.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.732 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.82 -52.17 51.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.701 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.83 -38.18 73.23 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.643 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.563 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.3 ttpt -56.63 -50.02 73.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.475 0.71 . . . . 0.0 109.248 175.773 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -60.45 -40.3 90.66 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.313 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -57.83 -41.38 82.16 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.252 0.548 . . . . 0.0 110.635 176.132 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 14' ' ' LYS . 12.6 tp -67.17 -45.11 77.98 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.844 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -56.88 -43.89 81.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.14 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.183 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -77.96 -47.44 18.55 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.097 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.73 -27.36 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 0 CA-C-O 121.464 0.649 . . . . 0.0 110.2 177.665 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.69 -45.62 71.17 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.187 178.352 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -75.08 -1.0 20.93 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.344 0.592 . . . . 0.0 111.643 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.5 t-80 -72.0 -29.0 63.77 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.792 171.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.57 -8.3 0.86 Allowed Glycine 0 CA--C 1.508 -0.358 0 C-N-CA 119.174 -1.489 . . . . 0.0 114.065 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -56.58 141.41 43.28 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.626 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 4.5 m-20 -75.5 176.08 7.9 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.499 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 62.2 m170 -68.59 -38.81 80.95 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.263 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -32.05 72.57 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 120.521 0.2 . . . . 0.0 110.737 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 31.4 mmtm -59.73 -45.63 91.58 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.642 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 27' ' ' ASP . 60.5 t -62.58 -43.96 98.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.387 179.748 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 94.2 mt -60.98 -52.88 63.14 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.182 0.593 . . . . 0.0 111.633 178.641 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.87 -39.83 95.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.7 -52.67 41.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 54.6 p -59.01 -39.4 81.75 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -175.717 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -73.34 -37.07 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.731 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -69.15 -40.81 77.97 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.93 -50.11 74.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.349 175.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.45 -45.91 84.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.961 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -56.3 -47.01 79.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 125.332 1.453 . . . . 0.0 110.502 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.78 -41.77 95.6 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.704 ' O ' ' HG3' ' B' ' 46' ' ' MET . 53.4 mt -67.83 -51.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.071 -178.176 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.31 -35.43 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.954 0.502 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.49 -45.32 92.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.732 178.824 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -78.72 -32.76 46.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.704 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.3 mtp . . . . . 0 N--CA 1.47 0.53 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.178 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.495 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.5 mm-40 . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 120.817 0.341 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.95 -51.68 68.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.728 -177.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -67.19 -28.48 68.13 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.057 179.545 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.66 -41.53 88.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.475 178.083 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.3 mmmt -68.7 -37.49 79.57 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.69 -51.5 69.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 175.372 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 33.3 mm-40 -52.83 -52.83 55.61 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 123.612 0.57 . . . . 0.0 111.452 178.022 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 45.8 t30 -60.07 -47.56 85.35 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.767 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 3.0 tppp? -69.51 -38.67 77.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -176.628 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 32.2 ttpt -59.44 -45.08 92.58 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.486 0.715 . . . . 0.0 109.657 175.457 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 28.4 mtpp -62.67 -42.71 99.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.205 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 mm-40 -55.91 -41.08 73.98 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 176.123 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.13 -45.23 81.77 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.814 178.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.4 mt -57.76 -43.02 83.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.725 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 70.9 mt-30 -59.16 -41.33 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.616 0.573 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.3 mt -66.38 -49.58 66.37 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.816 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.4 m -65.44 -31.34 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.889 177.179 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.13 68.49 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.245 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -67.58 -18.54 65.03 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.721 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.5 t-80 -55.26 -40.54 71.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 172.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.81 45.81 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.825 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.356 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.9 mt -93.8 147.77 22.75 Favored 'General case' 0 CA--C 1.477 -1.859 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.592 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 8.7 m-20 -65.94 160.26 23.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 171.07 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -63.9 -33.73 76.35 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.82 177.728 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.25 -35.36 80.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.467 174.282 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.7 mmtm -63.57 -45.14 91.83 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.899 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.8 -43.98 85.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.605 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.3 mt -61.02 -53.56 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.572 177.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.4 -39.69 94.06 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.578 -178.17 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 81.5 t80 -64.75 -50.1 68.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 178.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 p -64.55 -34.88 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.042 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 83.2 mtp180 -67.76 -44.27 77.89 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.651 178.292 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 11.2 t70 -72.94 -40.74 65.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.174 -176.756 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.6 -44.66 96.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.934 177.656 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -34.97 79.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.37 -177.581 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.4 pttm -69.74 -33.73 72.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.069 -178.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.83 -37.53 86.48 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.64 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' O ' ' HG2' ' A' ' 46' ' ' MET . 64.1 mt -73.31 -44.41 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.093 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -57.34 -36.91 71.76 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.834 0.35 . . . . 0.0 110.782 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.8 -48.47 78.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.899 178.424 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.3 m-85 -79.22 -28.03 42.51 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.1 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.2 mmt . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 173.604 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' B' ' 10' ' ' ILE . 2.6 tm? . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -38.14 89.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.727 0.411 . . . . 0.0 109.999 177.457 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.61 -42.27 98.64 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.649 0.78 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.69 -37.24 82.02 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.689 176.569 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 6' ' ' LEU . 64.4 mt -59.63 -51.07 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.136 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 63.1 mm-40 -54.62 -52.57 61.84 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 123.619 0.574 . . . . 0.0 110.084 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.82 -45.07 90.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.614 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' B' ' 13' ' ' LYS . 0.7 OUTLIER -70.22 -40.5 74.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.7 -175.701 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' B' ' 42' ' ' ILE . 34.2 ttpt -57.87 -46.35 84.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.323 175.201 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 30.3 mtpp -66.92 -41.41 87.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.826 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.1 mt-10 -58.37 -36.11 72.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 174.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.4 tp -68.55 -48.3 64.64 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.951 176.575 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.3 mt -53.36 -44.83 55.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 123.722 0.639 . . . . 0.0 110.248 179.723 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.34 -33.11 73.07 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.562 0.539 . . . . 0.0 111.292 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 88.9 mt -74.2 -46.9 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.273 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 17' ' ' LEU . 38.8 t -58.84 -38.27 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-O 121.394 0.616 . . . . 0.0 109.663 175.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -66.11 -49.41 67.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.025 0.93 . . . . 0.0 111.803 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 7.7 ptm180 -69.67 -6.33 30.83 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.909 0.385 . . . . 0.0 111.952 -177.754 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 29.0 t-80 -67.52 -35.87 79.92 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.233 174.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.03 -5.99 0.27 Allowed Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.753 -1.213 . . . . 0.0 112.718 -177.145 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -59.27 141.7 53.73 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 31' ' ' VAL . 27.0 m-20 -88.76 175.39 7.51 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.49 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 t-80 -56.93 -39.79 75.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.172 0.442 . . . . 0.0 110.637 -176.751 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.1 t70 -54.26 -47.31 72.43 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 124.538 1.135 . . . . 0.0 110.594 176.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 27.4 mmtm -65.23 -37.77 88.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.4 -178.008 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 27' ' ' ASP . 20.2 t -68.33 -39.21 80.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.1 mt -63.48 -57.69 9.41 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.828 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 61.8 mt -62.84 -37.09 85.43 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.529 -175.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.6 -50.75 63.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.751 178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.3 p -60.31 -38.38 83.52 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 93.9 mtt180 -65.53 -51.97 56.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.214 0.606 . . . . 0.0 111.21 178.79 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.05 -36.32 77.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.602 -174.392 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.6 -44.04 87.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.614 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.53 -48.53 81.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.086 -178.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -57.9 -42.83 85.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.522 177.781 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.2 -45.23 95.45 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.5 mt -66.26 -50.77 65.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.592 -179.448 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.28 -37.29 64.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.215 0.606 . . . . 0.0 111.159 178.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.86 -51.46 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.124 176.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.42 -33.17 64.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.164 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 36.8 mtp . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 121.333 0.587 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 CA--C 1.516 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.83 -43.51 92.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -59.83 -39.91 86.68 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.991 175.228 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -62.38 -41.98 99.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.726 0.641 . . . . 0.0 109.601 178.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.08 -49.84 75.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 177.2 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.454 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.1 mt -57.58 -49.38 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.522 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 50.1 mt-10 -59.27 -51.63 69.15 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 123.697 0.623 . . . . 0.0 110.944 178.597 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.62 -44.91 90.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 123.146 0.578 . . . . 0.0 111.783 -178.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -67.14 -41.5 86.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -178.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.8 ttpt -56.9 -46.92 81.59 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 124.735 1.214 . . . . 0.0 109.294 173.775 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -66.87 -37.01 83.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -178.823 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.48 -36.46 78.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.415 174.324 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HB2' ' HG3' ' B' ' 13' ' ' LYS . 1.4 tm? -72.14 -44.95 62.32 Favored 'General case' 0 N--CA 1.426 -1.675 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.4 mt -58.29 -40.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.414 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.45 -32.97 74.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.049 177.175 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.78 -50.45 35.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.958 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.0 t -61.37 -34.24 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-O 121.388 0.613 . . . . 0.0 110.521 177.217 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -50.41 57.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.12 -19.24 64.26 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 123.358 0.411 . . . . 0.0 111.598 -177.776 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -54.46 -41.09 69.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 174.143 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.23 37.98 0.13 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.411 -178.134 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 16.6 mt -83.74 149.48 26.43 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 121.745 0.783 . . . . 0.0 111.516 178.005 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.7 m-20 -74.28 161.44 29.9 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 174.145 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -59.75 -39.54 85.12 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.593 0.711 . . . . 0.0 109.648 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.1 m-20 -65.37 -27.05 68.3 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.54 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 34.1 mmtp -75.7 -46.21 32.52 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -177.166 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.21 -43.79 86.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 123.892 0.745 . . . . 0.0 109.648 178.144 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 29' ' ' ASP . 3.8 pp -69.65 -40.33 76.55 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.502 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.5 mt -69.44 -38.97 78.07 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.833 0.349 . . . . 0.0 110.558 179.035 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -64.6 -52.43 57.58 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 p -59.38 -37.54 78.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.55 -36.34 63.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.7 -44.03 52.14 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.63 -48.93 71.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.312 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.23 -38.26 86.0 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.875 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.84 -36.92 67.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.945 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.12 -42.26 90.18 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.654 ' O ' ' HG3' ' A' ' 46' ' ' MET . 69.5 mt -64.63 -57.25 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.248 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -51.81 -40.01 59.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 0.0 111.647 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.38 -50.72 72.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 111.128 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.88 -38.3 73.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 178.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 57.5 mtp . . . . . 0 C--N 1.321 -0.655 0 CA-C-O 121.349 0.595 . . . . 0.0 109.534 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.462 0.126 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 1.1 mmmt -60.7 -39.31 88.03 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 176.842 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -69.45 -33.98 73.73 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.246 0.341 . . . . 0.0 110.513 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -59.43 -46.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.47 -47.13 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.717 177.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 28.1 mm-40 -55.8 -50.26 70.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.69 0.619 . . . . 0.0 110.386 177.327 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -57.72 -48.4 79.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.434 0.458 . . . . 0.0 111.445 177.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 17' ' ' LEU . 13.7 tppt? -65.85 -44.01 86.74 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.463 0.477 . . . . 0.0 110.786 -176.602 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.9 ttpt -55.04 -51.66 65.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 125.089 1.356 . . . . 0.0 108.613 174.665 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.3 mtpm? -63.06 -39.72 95.57 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.837 -179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -57.81 -45.37 86.2 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.268 0.556 . . . . 0.0 110.062 175.686 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -42.95 90.04 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.145 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 81.0 mt -59.01 -41.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 75.9 mt-30 -62.53 -32.51 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.638 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.0 mt -72.52 -50.19 27.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.5 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.2 m -63.21 -26.35 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.814 175.575 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.35 66.47 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.341 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -71.97 -6.97 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 111.34 -179.11 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.0 t60 -67.81 -28.71 67.81 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 171.561 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.92 44.7 0.29 Allowed Glycine 0 N--CA 1.431 -1.655 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.094 178.135 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.0 mt -86.9 156.41 19.84 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.054 175.484 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.5 m-20 -67.81 157.78 33.99 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 169.461 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.616 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.2 t-80 -61.06 -35.74 77.73 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.241 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.22 -41.0 96.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.056 176.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.668 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.9 mmtm -61.94 -44.1 97.48 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.688 178.424 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 27' ' ' ASP . 26.5 t -60.12 -43.84 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 76.3 mt -62.54 -46.01 90.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.207 179.114 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -36.85 76.38 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -68.54 -49.16 61.66 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.538 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 ptm180 -67.09 -35.55 80.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.503 -178.799 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.79 -46.54 62.68 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.26 -40.93 83.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.763 179.04 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.79 -47.66 76.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.35 177.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' B' ' 40' ' ' LYS . 11.3 mptt -69.48 -32.76 71.86 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.9 -42.35 77.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.37 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.93 -50.19 50.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.649 179.61 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.93 -25.91 65.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 111.767 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.18 -55.15 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 175.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.76 -27.21 63.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.868 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 CA--C 1.512 -0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.984 176.439 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.49 -46.2 90.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.004 177.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.16 92.4 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 177.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.17 -35.63 80.98 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.379 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.81 -45.13 87.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.159 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 20' ' ' LEU . 48.7 mt -55.32 -47.5 77.83 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.214 174.232 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 38.0 mm-40 -55.19 -52.98 61.58 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 123.65 0.594 . . . . 0.0 110.887 177.537 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.91 -47.64 84.27 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 123.438 0.461 . . . . 0.0 111.999 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -68.49 -38.93 81.43 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -175.287 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.7 ttpt -59.85 -48.85 80.03 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 124.381 1.072 . . . . 0.0 109.026 174.841 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 28.9 mtpp -64.04 -42.79 96.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 42.2 mt-10 -56.78 -39.63 74.41 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 0.0 109.751 175.609 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.56 -46.12 67.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.482 179.386 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 14' ' ' LYS . 87.5 mt -55.03 -42.37 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -178.724 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 91.8 mt-30 -62.19 -38.41 89.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.343 178.389 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 97.3 mt -70.04 -46.93 63.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.9 t -62.22 -41.43 91.39 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.975 174.884 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.97 -51.73 68.42 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.518 0.727 . . . . 0.0 111.848 -179.296 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -64.87 -18.32 65.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.43 -177.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 40.1 t-80 -58.64 -30.91 67.66 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.661 0.601 . . . . 0.0 111.132 176.284 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.05 0.41 0.18 Allowed Glycine 0 C--O 1.227 -0.306 0 C-N-CA 119.079 -1.534 . . . . 0.0 113.973 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 21' ' ' VAL . 9.6 mp -66.03 161.93 20.54 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 121.59 0.71 . . . . 0.0 112.089 177.875 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.6 m-20 -107.02 175.29 5.55 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.019 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 7.7 p80 -54.31 -47.71 72.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.678 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 p-10 -58.7 -38.78 79.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -68.1 -39.56 82.79 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.619 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 27' ' ' ASP . 44.4 t -64.43 -41.77 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 88.7 mt -61.37 -50.93 70.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.621 177.148 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 95.8 mt -60.11 -46.6 89.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.126 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' HD22 ' B' ' 41' ' ' LEU . 79.9 t80 -62.04 -51.85 66.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 p -62.69 -38.67 91.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -72.75 -37.95 67.53 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.586 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.69 -40.38 72.94 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.9 -42.64 99.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.219 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.48 -44.41 97.15 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.184 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.29 -38.25 90.39 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.14 -41.36 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.129 0.49 . . . . 0.0 110.063 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.63 -45.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.217 177.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -59.42 -29.12 67.52 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.051 178.758 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.45 -49.73 62.36 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 123.742 0.817 . . . . 0.0 111.138 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -77.07 -33.23 57.16 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 C--N 1.305 -1.366 0 CA-C-O 121.577 0.703 . . . . 0.0 109.617 177.93 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -34.85 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.65 -40.48 97.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.789 177.426 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.72 -36.75 76.17 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.166 176.333 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.79 -51.62 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.601 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -56.54 -50.37 72.08 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.652 0.595 . . . . 0.0 110.217 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -55.26 -47.57 75.27 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.181 0.593 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.74 -41.77 78.52 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 123.627 0.579 . . . . 0.0 110.129 -175.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.551 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.1 ttpt -56.25 -50.23 71.91 Favored 'General case' 0 C--O 1.21 -0.974 0 C-N-CA 124.228 1.011 . . . . 0.0 108.734 174.734 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 18' ' ' ILE . 28.9 mtpp -63.81 -36.28 83.38 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.316 0.646 . . . . 0.0 112.005 -179.159 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.43 -45.04 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 109.31 174.664 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -67.46 -42.67 82.65 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.739 -179.307 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.4 mt -56.91 -40.17 70.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 -178.269 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.87 -36.38 83.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.0 mp -65.36 -51.81 57.94 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 16.8 t -62.1 -32.26 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 CA-C-O 121.6 0.714 . . . . 0.0 110.477 175.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.43 -48.91 68.49 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.675 179.164 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -69.5 -8.43 46.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.971 0.508 . . . . 0.0 112.042 -178.851 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 11.0 t-80 -63.38 -43.85 96.42 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 171.803 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.6 39.41 0.08 OUTLIER Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 120.388 -0.911 . . . . 0.0 111.834 -178.634 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.7 mt -85.81 148.83 25.64 Favored 'General case' 0 CA--C 1.479 -1.778 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.698 176.771 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 158.56 28.88 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 172.455 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.554 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 42.7 m-70 -59.8 -33.64 72.0 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.09 -33.91 65.88 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.144 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 63.1 mmtt -62.72 -41.44 99.16 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.73 178.101 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.6 -42.38 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.761 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 87.4 mt -64.2 -48.41 76.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.041 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.63 -41.44 88.32 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.52 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 76.0 t80 -62.16 -50.67 70.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -57.52 -43.25 84.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.354 0.409 . . . . 0.0 111.968 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.575 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 14.0 ptm180 -79.53 -19.82 48.64 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.412 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.47 -35.0 23.29 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.533 179.127 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 6.9 tt -72.38 -32.94 66.85 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.045 -0.979 . . . . 0.0 108.566 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.17 -44.5 95.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.96 177.191 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.3 mttp -53.46 -47.3 69.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.319 177.152 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -59.63 -48.72 80.55 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.152 -175.643 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.1 mt -61.07 -56.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.216 -179.194 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -52.93 -40.45 63.63 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 123.74 0.65 . . . . 0.0 110.755 -179.115 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -56.68 -49.55 74.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.453 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -79.86 -20.67 45.39 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -178.079 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 80.5 mtp . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.68 -47.62 80.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 4.0 mmmt -63.2 -36.78 84.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.45 177.391 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.965 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -68.71 -34.97 76.54 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 175.289 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.95 -47.19 94.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 176.403 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 27.5 mm-40 -55.47 -47.71 75.67 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.639 0.587 . . . . 0.0 110.211 175.52 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.01 -46.44 89.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.576 -179.143 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -69.27 -38.5 78.43 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.89 0.376 . . . . 0.0 110.615 -176.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -54.46 -52.44 61.84 Favored 'General case' 0 C--O 1.216 -0.691 0 C-N-CA 124.967 1.307 . . . . 0.0 108.532 174.148 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 18' ' ' ILE . 27.5 mtpp -62.87 -39.45 94.47 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.319 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 20' ' ' LEU . 8.1 mm-40 -55.22 -47.89 74.69 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 174.671 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.34 -43.76 85.17 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.581 179.291 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 80.3 mt -55.57 -38.58 50.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.401 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 48.4 mt-30 -58.88 -42.65 90.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.309 176.079 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' B' ' 10' ' ' ILE . 2.6 mm? -67.22 -45.6 76.34 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.024 178.388 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.7 t -64.05 -39.3 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.087 177.823 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -46.68 81.79 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 122.814 0.446 . . . . 0.0 111.953 -178.73 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 14.9 ptm180 -65.85 -18.43 65.33 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.687 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.7 t-80 -57.7 -35.03 70.07 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 174.643 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.56 6.5 0.61 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.485 -1.34 . . . . 0.0 114.768 178.235 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -57.17 149.77 19.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 178.015 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.9 m-20 -73.78 174.06 8.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.203 176.015 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -65.37 -42.27 92.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.572 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -69.48 -32.77 71.88 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.423 -178.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 43.4 mmtm -62.88 -43.3 99.16 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.9 t -63.67 -37.69 80.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.76 -50.14 63.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.487 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.7 -45.43 92.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.06 -51.13 69.22 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.885 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -62.05 -40.68 96.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.399 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 13.9 ptm180 -74.19 -32.61 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.173 -178.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.82 -44.48 61.42 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 42' ' ' ILE . 22.1 tp -56.63 -45.51 81.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.97 177.111 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -60.48 -41.47 94.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.887 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 67.4 mttm -66.94 -42.73 84.79 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.444 178.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.19 -44.12 87.89 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.7 ' O ' ' HG3' ' A' ' 46' ' ' MET . 61.4 mt -62.77 -56.81 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.479 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -52.86 -33.73 51.12 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 122.887 0.475 . . . . 0.0 112.258 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -59.4 -49.95 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.506 0.722 . . . . 0.0 110.33 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' B' ' 26' ' ' LEU . 33.6 m-85 -78.72 -30.02 45.67 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.496 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.7 mtp . . . . . 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.211 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -60.84 -39.69 90.02 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.258 175.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.32 -41.23 84.1 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 123.566 0.542 . . . . 0.0 110.664 178.123 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.3 -39.14 78.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.518 178.467 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 20' ' ' LEU . 61.3 mt -59.78 -51.29 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.728 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -58.0 -52.54 65.08 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.396 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -56.09 -49.99 72.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.12 0.968 . . . . 0.0 112.518 -178.412 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 1.4 tppp? -69.48 -39.8 77.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.551 -176.424 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.406 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.0 ttpt -57.57 -50.04 74.41 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 123.825 0.85 . . . . 0.0 108.863 173.752 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -58.45 -39.52 80.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.688 0.795 . . . . 0.0 112.227 179.024 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -64.22 -39.83 94.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.679 0.276 . . . . 0.0 111.425 175.484 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -66.05 -44.78 83.58 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 176.702 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' SER . 85.3 mt -57.97 -42.15 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.624 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.97 -24.91 67.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.711 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.5 -51.26 8.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.945 178.778 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' B' ' 34' ' ' PHE . 11.9 m -62.82 -28.97 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.304 176.018 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.08 -42.28 94.27 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.556 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -79.25 -7.19 58.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -67.48 -29.55 69.02 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.751 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.52 -11.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.762 -1.208 . . . . 0.0 113.207 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.66 140.16 36.41 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.523 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 13.2 m-20 -79.19 165.53 23.18 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 113.567 -1.651 . . . . 0.0 106.651 175.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.469 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.3 t-80 -54.37 -43.88 71.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.125 0.488 . . . . 0.0 110.643 178.795 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.64 -41.03 98.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 32.9 mmtm -56.87 -46.06 82.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.958 176.783 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 54.7 t -60.59 -44.14 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.128 -178.1 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.2 mt -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' B' ' 21' ' ' VAL . 86.2 t80 -58.7 -52.14 66.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.463 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.3 p -59.32 -41.2 88.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.032 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 12.0 ptm180 -76.77 -33.83 58.04 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.74 -178.218 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.07 -39.93 75.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.253 1.025 . . . . 0.0 108.594 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.66 -36.48 83.79 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.717 176.748 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.55 -47.68 82.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.364 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.8 mtpt -54.95 -42.83 72.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.277 177.517 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.99 -42.42 99.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.623 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.3 mt -66.11 -50.0 72.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.829 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.02 -33.31 56.89 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.342 1.057 . . . . 0.0 111.767 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.28 -51.81 67.35 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.471 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -77.04 -26.2 53.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.623 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.9 mtp . . . . . 0 C--O 1.219 -0.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 175.508 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 120.451 0.167 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.65 -47.21 84.71 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.733 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HE2' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.96 -40.14 94.55 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.161 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -60.37 -40.48 90.94 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.182 0.593 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.98 -39.54 83.29 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.663 176.594 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.658 HG12 ' HB3' ' B' ' 20' ' ' LEU . 82.7 mt -56.65 -45.33 82.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 172.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 8.0 mm-40 -57.44 -52.35 65.75 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 123.721 0.638 . . . . 0.0 109.676 176.919 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.11 -45.72 86.77 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.174 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 14.8 tppt? -67.88 -43.36 79.55 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.655 0.782 . . . . 0.0 110.961 -176.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 18' ' ' ILE . 35.1 ttpt -55.1 -49.96 70.38 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.102 1.361 . . . . 0.0 108.811 175.449 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -64.47 -40.17 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 20' ' ' LEU . 47.3 mt-10 -55.64 -44.91 77.58 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 109.577 175.112 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.77 -42.88 81.03 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.867 -178.143 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 14' ' ' LYS . 68.6 mt -57.84 -39.33 70.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.137 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 88.7 mt-30 -62.09 -41.29 98.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.079 177.177 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.2 mm? -62.64 -49.95 73.13 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.725 176.789 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.565 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.7 m -66.72 -32.15 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 118.943 -1.103 . . . . 0.0 111.808 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.93 82.84 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.082 -0.386 . . . . 0.0 111.82 -178.088 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -75.79 -18.74 59.4 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.264 178.738 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 61.1 t60 -56.73 -46.7 81.17 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.02 0.438 . . . . 0.0 110.2 176.255 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 6.56 0.08 OUTLIER Glycine 0 N--CA 1.434 -1.484 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.512 -178.075 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.58 0.705 . . . . 0.0 112.453 173.744 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.7 m-20 -73.68 171.14 13.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.713 178.432 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -60.14 -47.06 87.5 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.337 0.589 . . . . 0.0 110.194 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 6.6 p-10 -64.2 -34.44 78.09 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.1 -44.05 93.49 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.506 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.6 t -61.16 -40.38 85.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.64 -54.36 28.74 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.298 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.5 mt -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.172 -177.253 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.86 -50.42 70.98 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 123.572 0.545 . . . . 0.0 110.495 178.398 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -59.66 -37.24 78.2 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.685 0.279 . . . . 0.0 111.517 -178.714 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -66.99 -50.35 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.288 0.635 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.06 -41.84 77.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.968 -176.362 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.45 -48.77 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.8 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.52 -43.43 98.88 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.077 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.99 -39.98 96.38 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 124.252 1.021 . . . . 0.0 110.964 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.81 -40.67 95.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.932 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.6 mt -65.58 -54.0 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.721 179.162 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -55.05 -34.9 63.94 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.43 -49.73 76.66 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.381 0.61 . . . . 0.0 109.908 177.864 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.65 -33.21 53.53 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.45 -178.386 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 27.3 mtp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.282 0.563 . . . . 0.0 110.007 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.461 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 2.9 mmmt -64.19 -34.21 77.55 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.044 176.318 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -66.03 -32.31 73.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.066 0.46 . . . . 0.0 109.904 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.79 -42.55 73.62 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.263 173.902 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' A' ' 20' ' ' LEU . 77.9 mt -59.81 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.409 177.214 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 22.6 mm-40 -56.81 -46.07 81.83 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.825 176.784 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.01 -45.04 94.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.8 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -67.54 -42.9 81.96 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 123.236 0.335 . . . . 0.0 110.491 -177.859 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.525 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -54.43 -51.12 65.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.639 1.176 . . . . 0.0 108.611 175.155 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.38 -36.63 82.9 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.5 -43.91 97.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.235 0.541 . . . . 0.0 109.838 175.571 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -67.06 -44.39 80.24 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.942 -178.837 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 65.4 mt -58.07 -40.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.526 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.46 -37.41 85.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.209 177.788 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.3 mp -65.7 -54.4 27.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 177.336 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 10.1 m -61.66 -28.95 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.612 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.77 70.92 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -73.1 -8.99 58.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.563 -178.334 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.7 t-80 -61.06 -38.7 87.12 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 37.71 0.1 OUTLIER Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.863 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.1 mt -84.67 147.84 26.72 Favored 'General case' 0 CA--C 1.478 -1.799 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.901 177.328 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.0 m-20 -74.93 160.5 30.52 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 173.102 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 85.7 t60 -51.72 -42.93 62.63 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.583 0.552 . . . . 0.0 110.58 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.8 m-20 -65.57 -38.32 89.2 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.545 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.5 mmtt -62.11 -45.48 93.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.236 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.4 t -60.26 -41.43 86.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.637 178.903 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.9 mt -64.92 -55.69 17.78 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.03 179.458 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.6 mt -60.71 -36.5 78.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.478 -177.277 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.16 -51.7 50.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 177.541 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.403 ' HB3' HD13 ' B' ' 18' ' ' ILE . 21.6 p -62.3 -35.79 80.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.416 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.4 mtt180 -64.96 -52.85 54.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.22 177.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.57 -44.68 96.59 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.094 -177.434 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.4 -45.31 91.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.246 178.005 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.38 -45.37 93.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.187 0.518 . . . . 0.0 109.855 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.0 mtpp -63.19 -48.85 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.641 178.562 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.46 -44.9 85.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.665 0.786 . . . . 0.0 110.974 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.728 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.7 mt -62.49 -59.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.593 179.383 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.39 -34.32 66.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.509 0.506 . . . . 0.0 111.901 -177.635 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.15 -51.87 67.58 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.444 0.698 . . . . 0.0 110.157 177.362 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 25.1 m-85 -70.98 -33.36 70.35 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.688 -179.266 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.728 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 58.6 mtp . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.495 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 19.4 mm-40 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.616 0.246 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.72 -49.84 69.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.711 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.62 -34.47 77.1 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.853 0.358 . . . . 0.0 110.597 177.448 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -66.15 -41.22 90.68 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 123.454 0.702 . . . . 0.0 109.343 179.576 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.9 mmtm -65.97 -34.76 78.84 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 175.872 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.99 -46.84 92.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.873 175.922 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 38.7 mm-40 -57.66 -47.27 82.75 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.475 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.72 -53.49 51.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 124.787 1.235 . . . . 0.0 111.497 179.839 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -68.77 -40.02 79.93 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 -175.134 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.1 ttpt -57.81 -49.8 75.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.175 0.99 . . . . 0.0 109.192 175.766 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -65.57 -36.07 82.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.577 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.1 mt-10 -59.29 -44.21 92.5 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 174.054 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.77 -42.45 77.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.714 -178.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -58.57 -43.45 87.21 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.016 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.54 -32.68 73.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.908 177.526 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.0 mt -69.44 -52.02 30.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.281 177.854 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 26' ' ' LEU . 12.1 m -62.99 -32.38 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.492 175.62 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.95 -46.16 89.04 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 123.062 0.545 . . . . 0.0 111.72 -179.293 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.1 ptp180 -68.92 -18.3 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.868 -179.305 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.5 t-80 -59.28 -32.94 70.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.007 0.523 . . . . 0.0 110.807 175.512 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.69 -13.98 0.51 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.504 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -52.72 141.01 22.12 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 m-20 -80.39 171.04 15.57 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 177.146 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 23.4 t-80 -64.98 -36.08 83.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.156 0.434 . . . . 0.0 110.542 -178.323 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.9 p-10 -62.61 -37.63 87.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 178.711 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -65.38 -41.03 94.17 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.938 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 27' ' ' ASP . 62.1 t -65.2 -39.55 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.691 -179.133 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 mt -62.95 -47.62 82.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 176.462 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 72.8 mt -64.35 -43.7 93.75 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 123.483 0.489 . . . . 0.0 111.265 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.86 -49.16 69.14 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.139 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -60.29 -41.13 92.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.401 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -70.13 -40.64 74.71 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.752 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -74.35 -38.23 63.28 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.125 -179.019 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.05 -45.82 93.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.792 176.386 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.5 -49.27 76.85 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.593 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.6 -33.4 75.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.814 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.39 -40.59 93.66 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.64 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.3 mt -66.48 -53.13 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.853 177.788 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.57 -38.66 60.4 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.367 0.667 . . . . 0.0 110.634 178.123 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -58.03 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.818 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -85.18 -35.63 21.55 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 54.5 mtp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.687 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 6.5 mmmt -61.46 -35.49 77.77 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.806 174.573 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -55.04 -50.18 69.73 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.01 176.415 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.93 -35.5 76.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.424 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.36 -51.46 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 123.558 0.536 . . . . 0.0 110.723 176.496 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.1 mm-40 -57.88 -47.84 81.6 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 123.653 0.595 . . . . 0.0 110.905 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.37 -43.46 90.71 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -64.45 -43.44 94.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.259 0.552 . . . . 0.0 109.763 -178.301 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.1 ttpt -54.12 -52.01 62.4 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.119 1.368 . . . . 0.0 108.906 174.765 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.6 mtpm? -60.76 -44.5 96.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.562 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -56.19 -40.03 73.33 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.922 0.392 . . . . 0.0 110.463 176.723 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.412 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -69.36 -44.11 72.25 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.421 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 14' ' ' LYS . 74.6 mt -58.24 -41.73 81.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.743 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 72.0 mt-30 -60.33 -37.48 80.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.17 177.468 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 91.0 mt -68.13 -51.52 45.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.548 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.3 m -63.53 -28.89 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.994 176.912 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.17 -38.05 72.17 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -81.32 0.25 37.92 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.731 178.841 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.0 t-80 -69.27 -34.0 74.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 167.546 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.59 46.59 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.602 177.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.609 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.9 mt -89.63 144.51 25.94 Favored 'General case' 0 CA--C 1.473 -2.006 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.057 178.093 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.428 ' O ' HG23 ' B' ' 31' ' ' VAL . 30.1 m-20 -77.58 164.11 25.65 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.562 173.277 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.593 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 40.6 p-80 -50.65 -44.38 57.46 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 123.772 0.67 . . . . 0.0 112.127 -177.239 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.36 -47.08 79.62 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.741 178.594 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 34.2 mmtp -62.32 -42.71 99.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.436 -176.636 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 27' ' ' ASP . 12.1 t -64.42 -43.99 97.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.662 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.753 ' O ' ' HG2' ' B' ' 36' ' ' ARG . 88.7 mt -60.12 -58.29 9.18 Favored 'General case' 0 CA--C 1.492 -1.256 0 C-N-CA 123.581 0.752 . . . . 0.0 111.313 178.217 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.0 -34.19 75.73 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 123.605 0.566 . . . . 0.0 112.029 -176.512 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 89.1 t80 -72.69 -49.66 29.95 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.806 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.9 p -58.79 -40.54 84.35 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -176.543 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.753 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 9.6 ptm180 -68.41 -48.44 64.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 177.148 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.84 -28.13 58.13 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.131 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.4 ' O ' HG13 ' B' ' 42' ' ' ILE . 20.9 tp -64.12 -43.86 93.99 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 172.562 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.8 -43.81 97.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.616 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 66.8 mttm -63.39 -43.14 98.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.352 178.45 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -40.16 96.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.706 179.006 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' B' ' 46' ' ' MET . 59.1 mt -64.02 -54.53 30.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.954 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -57.42 -34.29 68.77 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -54.19 -45.86 72.27 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.745 0.818 . . . . 0.0 110.095 176.597 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.493 ' HB3' HD21 ' A' ' 26' ' ' LEU . 33.5 m-85 -84.5 -23.11 29.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.809 -178.552 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 34.4 mtp . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.177 0.513 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 120.252 0.072 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.88 120.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 169.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.84 -22.64 63.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.159 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.63 92.86 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -72.46 -39.49 67.73 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -59.39 -48.32 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.926 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.7 mmmt -60.5 -35.53 76.18 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.231 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.61 -41.58 96.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.131 0.491 . . . . 0.0 109.732 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.51 -37.69 83.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.237 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.77 -49.11 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.821 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 31.3 mm-40 -54.16 -52.12 62.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 123.684 0.615 . . . . 0.0 110.698 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -56.98 -48.56 78.12 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.728 0.811 . . . . 0.0 112.41 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.99 -41.52 77.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -58.66 -46.23 87.63 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.332 1.053 . . . . 0.0 109.38 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 47.8 mttm -63.94 -41.37 97.63 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 122.818 0.447 . . . . 0.0 111.77 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.38 -37.37 72.56 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.307 0.575 . . . . 0.0 110.138 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -72.05 -44.76 62.83 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.5 mt -55.97 -40.54 63.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.2 mt-30 -58.79 -40.13 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.7 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.96 -48.79 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 17.6 t -62.46 -35.3 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-O 121.327 0.584 . . . . 0.0 110.309 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.93 56.27 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.471 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.89 -18.86 65.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 43.4 t-80 -55.63 -45.8 77.5 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.62 30.93 0.02 OUTLIER Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.358 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 57.3 mt -94.77 144.77 25.37 Favored 'General case' 0 CA--C 1.47 -2.127 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -86.14 170.74 11.91 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 173.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.684 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.4 m80 -60.49 -36.08 77.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -174.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.3 p-10 -64.65 -37.54 87.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 45.5 mmtm -67.84 -44.49 77.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.253 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.8 t -60.14 -43.95 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.31 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 67.1 mt -62.52 -45.75 91.57 Favored 'General case' 0 CA--C 1.508 -0.652 0 C-N-CA 122.5 0.32 . . . . 0.0 111.016 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 92.1 mt -64.88 -46.23 82.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.31 -52.5 64.42 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.2 p -60.17 -39.38 86.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.76 -34.46 62.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 8.7 t70 -72.39 -44.14 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.05 -44.54 78.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.505 175.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.58 -37.59 86.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.069 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -71.46 -35.54 70.89 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.102 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.2 -36.86 85.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.578 0.704 . . . . 0.0 109.327 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.432 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.6 mt -70.9 -46.98 65.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.573 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.34 -33.9 73.08 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.466 0.307 . . . . 0.0 111.457 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 48' ' ' VAL . 39.8 ttmt -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.689 0.757 . . . . 0.0 110.846 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.66 -27.61 25.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.575 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mmm -83.94 -29.23 27.25 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.691 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -157.73 -74.35 0.09 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 118.916 -1.114 . . . . 0.0 113.013 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 21.7 m -85.84 111.18 20.68 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.376 0 CA-C-N 113.309 -1.769 . . . . 0.0 112.918 -171.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -94.44 65.84 3.27 Favored 'General case' 0 C--N 1.27 -2.88 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.39 97.3 0.96 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.277 -1.328 . . . . 0.0 110.443 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -106.91 2.57 25.41 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.323 -176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 m -81.12 67.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.983 0 CA-C-O 122.455 1.121 . . . . 0.0 111.409 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -85.6 122.79 30.21 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.309 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -74.78 118.3 17.59 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.942 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -102.69 112.16 24.8 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -75.71 -54.08 7.52 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -89.05 129.55 35.66 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -124.3 115.73 21.5 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 75.39 -66.76 0.27 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.69 1.596 . . . . 0.0 110.484 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -96.5 135.7 38.03 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -78.47 -19.07 53.88 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.432 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 . . . . . 0 C--N 1.3 -1.573 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -176.786 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.059 0.456 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -54.45 113.9 1.46 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.973 1.309 . . . . 0.0 111.159 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.1 mtt -90.0 -10.13 46.09 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.069 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.41 97.0 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -72.82 -31.04 64.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.065 0.459 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.25 -44.81 74.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -63.82 -36.13 82.9 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.951 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.46 -36.31 75.73 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.009 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.77 -43.97 57.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.521 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.38 -49.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.66 0.6 . . . . 0.0 110.268 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.68 -51.62 68.79 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.722 0.638 . . . . 0.0 111.361 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 43.3 t-20 -59.88 -47.98 83.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.206 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.78 -42.48 95.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.678 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.4 ttpt -55.51 -48.43 74.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.203 1.001 . . . . 0.0 109.001 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.28 -33.1 71.17 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.464 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 45.9 mt-10 -59.58 -42.55 92.78 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 21' ' ' VAL . 12.7 tp -66.92 -49.41 65.64 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.388 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.1 mt -53.71 -45.56 61.08 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 O-C-N 123.685 0.616 . . . . 0.0 110.615 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.93 -28.69 69.12 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.409 0.443 . . . . 0.0 111.794 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 97.9 mt -78.55 -47.92 16.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.376 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.5 t -61.04 -38.11 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 121.638 0.733 . . . . 0.0 109.808 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.104 0.962 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -68.46 -14.4 62.97 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.862 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.5 t60 -67.77 -25.07 65.43 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.816 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.52 -14.51 0.45 Allowed Glycine 0 CA--C 1.494 -1.277 0 C-N-CA 118.923 -1.608 . . . . 0.0 113.022 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.41 135.53 54.06 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-O 121.845 0.831 . . . . 0.0 112.255 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.554 ' O ' HG23 ' B' ' 31' ' ' VAL . 37.9 m-20 -84.92 176.41 8.48 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.374 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.533 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 75.4 m80 -59.84 -41.13 90.73 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.37 -37.46 83.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.903 0.382 . . . . 0.0 110.07 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 62.6 mmtt -60.21 -44.52 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.556 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.0 t -63.7 -43.26 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.3 mt -61.09 -47.16 87.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.88 -51.01 68.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.29 -47.06 86.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.508 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.5 p -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -72.25 -36.42 69.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 111.566 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.5 -30.27 47.09 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.389 0.614 . . . . 0.0 109.798 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.56 -46.16 73.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -53.93 -50.56 66.18 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.653 0.739 . . . . 0.0 109.737 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' B' ' 40' ' ' LYS . 37.2 ttmt -54.21 -44.99 72.11 Favored 'General case' 0 N--CA 1.425 -1.707 0 C-N-CA 126.517 1.927 . . . . 0.0 111.93 178.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.23 -39.47 92.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.655 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.7 mt -65.3 -54.86 23.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.711 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -49.6 -39.05 34.01 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.827 0.851 . . . . 0.0 111.331 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.22 -51.23 70.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.836 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.68 -31.02 52.25 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.655 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 78.0 mtp -66.61 -31.5 72.23 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 76.68 -1.79 2.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.718 2.007 . . . . 0.0 109.17 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.14 92.02 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.774 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.959 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -123.29 28.79 6.94 Favored 'General case' 0 C--N 1.251 -3.698 0 CA-C-N 113.13 -1.85 . . . . 0.0 106.246 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t70 78.95 176.15 0.14 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 111.427 -2.624 . . . . 0.0 109.588 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.49 14.98 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.726 0.774 . . . . 0.0 111.439 -172.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.82 169.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.414 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -127.52 82.36 2.08 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -69.09 124.33 23.49 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.193 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.482 HD23 ' H ' ' B' ' 55' ' ' LEU . 2.2 pt? -70.38 129.24 38.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 171.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -129.3 -46.32 1.21 Allowed 'General case' 0 C--N 1.285 -2.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -143.11 -86.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.7 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -85.14 -43.88 13.47 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -140.31 -79.98 0.28 Allowed 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -113.14 177.94 4.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -172.22 139.34 1.05 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--N 1.289 -2.061 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.557 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 CA--C 1.495 -1.164 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -95.14 159.54 14.97 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.076 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtm -59.44 -23.32 62.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.4 -47.15 64.76 Favored Glycine 0 N--CA 1.459 0.191 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.008 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -67.75 -37.37 82.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.822 0.82 . . . . 0.0 109.202 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.6 -45.66 86.01 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.684 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -61.93 -36.36 81.16 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 122.859 0.464 . . . . 0.0 111.274 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -59.33 -44.15 92.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.93 -41.21 87.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.877 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.8 mt -57.14 -50.45 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.338 0 O-C-N 123.485 0.491 . . . . 0.0 110.425 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.42 -52.4 64.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 123.694 0.621 . . . . 0.0 111.508 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 20.1 m-80 -59.1 -45.19 91.51 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -70.82 -38.48 73.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.065 0.46 . . . . 0.0 110.148 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -61.74 -47.01 87.17 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 109.662 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 61.2 mtpt -62.43 -40.43 96.55 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.767 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB2' ' HD2' ' B' ' 13' ' ' LYS . 56.5 mt-10 -58.96 -37.45 76.79 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 123.585 0.553 . . . . 0.0 109.593 175.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.6 tp -69.76 -48.14 60.39 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.842 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.5 mt -54.37 -41.1 51.43 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 O-C-N 123.508 0.505 . . . . 0.0 110.019 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 52.1 mt-30 -58.23 -43.09 87.59 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 123.589 0.556 . . . . 0.0 110.578 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' B' ' 10' ' ' ILE . 95.3 mt -66.27 -48.95 68.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' LEU . 16.5 t -64.61 -35.26 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 121.402 0.62 . . . . 0.0 110.571 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.38 60.45 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.261 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.56 -18.58 65.43 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 123.706 0.629 . . . . 0.0 111.685 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -57.47 -53.87 53.2 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.0 42.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.537 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.665 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 55.6 mt -102.18 143.97 31.31 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.886 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.723 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 2.7 p-10 -85.77 177.62 7.6 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 176.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.671 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.5 t60 -58.37 -38.21 76.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 123.539 0.524 . . . . 0.0 110.418 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.6 t70 -67.43 -39.48 85.44 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.146 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.723 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 33.3 mmtm -67.9 -43.46 79.23 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.068 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.5 t -60.54 -39.13 80.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 74.5 mt -64.93 -53.77 41.26 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.454 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 85.9 mt -60.81 -41.89 96.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.722 0.296 . . . . 0.0 111.706 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.76 -47.55 80.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.876 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -66.5 -33.01 74.73 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.897 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 33' ' ' LEU . 97.0 mtt180 -63.91 -57.28 10.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 122.757 0.423 . . . . 0.0 110.868 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.527 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.7 t70 -72.96 -33.88 66.16 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.077 -171.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.96 -35.98 69.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.096 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.2 -41.02 90.76 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.6 mtpt -58.63 -43.92 89.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.232 174.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.22 -43.38 98.26 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.512 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.664 ' O ' ' HG3' ' A' ' 46' ' ' MET . 63.0 mt -60.51 -53.24 51.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.459 ' C ' HG22 ' A' ' 48' ' ' VAL . 37.9 m-80 -56.17 -36.79 68.72 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -56.5 -43.66 79.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.975 0.91 . . . . 0.0 108.691 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -85.83 -28.18 24.63 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 91.4 mtp -59.91 -54.86 41.18 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.436 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 46' ' ' MET . 57.8 t30 168.69 16.19 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 O-C-N 124.57 1.169 . . . . 0.0 112.778 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG22 ' C ' ' A' ' 43' ' ' ASN . 7.5 m -94.37 120.27 43.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.721 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -113.61 90.11 3.26 Favored 'General case' 0 N--CA 1.413 -2.325 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.6 143.5 48.61 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 114.128 -1.396 . . . . 0.0 107.772 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -99.62 26.4 6.21 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 122.188 0.994 . . . . 0.0 110.003 179.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.4 m -76.06 -3.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.225 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -83.18 142.28 31.3 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -82.29 127.44 33.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.002 0.429 . . . . 0.0 111.676 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.79 157.37 18.64 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -84.75 160.77 20.22 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.8 -46.05 69.65 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 124.213 1.005 . . . . 0.0 109.693 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -141.57 -53.13 0.45 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.682 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 56' ' ' GLU . 62.2 t60 68.8 145.22 0.05 OUTLIER 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.17 1.388 . . . . 0.0 113.182 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.98 112.65 12.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.1 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -88.5 136.72 32.85 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 C--N 1.294 -1.814 0 CA-C-O 118.392 -0.813 . . . . 0.0 108.939 -176.87 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 1.2 mp0 -59.14 121.13 10.55 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.423 1.089 . . . . 0.0 111.5 -176.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -76.58 -21.89 55.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.371 0.605 . . . . 0.0 109.535 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -38.15 94.49 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.841 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 15.9 mm100 -70.14 -35.78 74.31 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.51 -48.43 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 0.2 OUTLIER -64.03 -35.85 82.07 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.83 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.54 -39.6 91.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.989 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 99.1 mttt -66.88 -37.61 84.75 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.166 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 20' ' ' LEU . 65.1 mt -57.37 -49.41 80.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 7' ' ' LYS . 37.8 mt-10 -60.91 -43.81 98.04 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -55.8 -55.3 34.05 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.384 1.073 . . . . 0.0 111.253 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 16.1 tppt? -65.18 -44.91 86.94 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.369 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 25.5 ttpt -57.91 -43.82 86.42 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.679 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.4 mtpm? -63.11 -37.03 85.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 122.406 0.282 . . . . 0.0 111.447 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.47 -41.03 96.6 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.576 0.703 . . . . 0.0 109.879 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -66.76 -46.37 75.56 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.295 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 92.2 mt -54.31 -42.46 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 123.6 0.562 . . . . 0.0 110.111 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.6 mt-30 -63.57 -35.46 80.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.803 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.95 -49.64 35.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' B' ' 26' ' ' LEU . 23.2 t -58.65 -39.17 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -56.33 -55.77 29.27 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.322 0.649 . . . . 0.0 111.449 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -70.35 -4.33 21.71 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.437 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 30.0 t-80 -65.89 -36.85 84.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.67 6.71 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.607 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -64.12 150.71 45.03 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' B' ' 31' ' ' VAL . 11.2 m-20 -75.42 163.79 27.05 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 170.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.516 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.1 m-70 -67.68 -30.53 70.08 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.491 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 2.4 m-20 -68.87 -34.33 75.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.489 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 12.3 mmtp -62.74 -41.94 99.43 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 44.6 t -61.56 -42.69 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.258 0.551 . . . . 0.0 109.561 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 84.2 mt -65.73 -46.08 80.24 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 70.1 mt -70.45 -39.2 74.44 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.842 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -48.61 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.831 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 24.4 p -60.99 -36.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.437 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.48 -51.23 30.57 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.022 0.529 . . . . 0.0 111.34 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -64.77 -35.54 81.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.575 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tt -78.15 -31.12 49.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' B' ' 35' ' ' SER . 19.6 t70 -66.71 -41.14 88.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -61.78 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.983 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.62 -44.31 89.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.274 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.486 HD12 ' HD3' ' B' ' 14' ' ' LYS . 45.0 mt -67.01 -51.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -57.65 -30.62 65.54 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.43 -51.58 62.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.077 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -73.21 -32.07 64.56 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 92.4 mmm -67.32 -25.79 66.19 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 t30 57.55 67.59 0.95 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.521 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.32 136.3 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.037 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -104.89 97.69 7.53 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.43 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.79 122.9 15.34 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.538 -1.665 . . . . 0.0 111.186 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -92.65 24.28 3.63 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.607 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.86 168.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -99.68 26.71 5.94 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 122.116 0.96 . . . . 0.0 110.436 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -130.59 90.76 2.97 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.63 155.64 19.5 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.746 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -81.89 -62.44 1.63 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 20.1 t60 58.94 -82.57 0.02 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.787 1.635 . . . . 0.0 109.738 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -128.95 85.01 2.28 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -108.1 70.68 0.77 Allowed 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -143.25 108.01 4.88 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -149.82 138.93 21.18 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.223 0.535 . . . . 0.0 112.028 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--N 1.305 -1.331 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 175.904 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 CA--C 1.5 -0.963 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 5' ' ' GLN . 12.5 tp10 -77.51 94.89 4.38 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.446 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 26.4 ptm -87.44 -14.87 39.32 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.015 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.16 -49.76 31.71 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 15.9 mm-40 -70.32 -30.22 67.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.715 -0.242 . . . . 0.0 110.724 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 2.7 tm? -61.71 -45.19 95.01 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.787 0.679 . . . . 0.0 109.289 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -40.42 93.85 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.624 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.15 -35.49 80.62 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.115 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.79 94.8 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.4 -49.97 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -53.85 -52.23 61.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 123.607 0.567 . . . . 0.0 110.622 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -60.71 -43.79 97.37 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.585 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.72 -40.66 84.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.277 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -57.18 -48.68 78.15 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 124.544 1.138 . . . . 0.0 108.587 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -65.44 -35.61 81.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.277 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.27 -46.74 82.8 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.4 0.619 . . . . 0.0 109.528 170.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -45.9 80.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.68 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 14' ' ' LYS . 93.3 mt -55.03 -41.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 123.406 0.442 . . . . 0.0 110.299 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.48 -34.46 77.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.53 -47.86 37.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.639 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 18.1 t -61.83 -38.38 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.864 175.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.57 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.001 0.52 . . . . 0.0 111.857 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -66.81 -17.93 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.34 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 72.5 t60 -59.49 -32.59 70.41 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.54 -9.91 0.23 Allowed Glycine 0 CA--C 1.505 -0.573 0 C-N-CA 119.08 -1.534 . . . . 0.0 113.538 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.0 mp -63.29 147.33 51.37 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.65 0.738 . . . . 0.0 112.557 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.5 t70 -95.07 179.56 5.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 m80 -57.95 -40.5 80.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 124.656 1.182 . . . . 0.0 110.198 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.7 m-20 -74.89 -32.96 61.97 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.27 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.22 -38.97 92.08 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ASP . 99.3 t -64.7 -43.54 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 79.4 mt -60.51 -53.57 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.726 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.9 mt -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.052 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.12 -52.69 64.25 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.96 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 p -61.14 -36.09 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.8 mtp180 -66.12 -51.66 55.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.439 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.72 -34.22 75.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 42' ' ' ILE . 27.7 tp -63.39 -49.63 73.07 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.853 0.861 . . . . 0.0 110.578 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.62 -41.25 98.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.499 0.666 . . . . 0.0 109.826 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -59.34 -38.7 81.04 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 125.333 1.453 . . . . 0.0 111.186 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -69.79 -38.72 76.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.338 0.59 . . . . 0.0 109.728 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.4 mt -68.38 -55.54 15.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.986 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -53.48 -35.11 60.22 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.72 0.408 . . . . 0.0 111.015 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.95 -48.17 80.73 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 123.87 0.731 . . . . 0.0 110.507 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.466 ' O ' HD21 ' B' ' 26' ' ' LEU . 45.1 m-85 -82.28 -30.79 30.4 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 50.7 mtp -69.5 -38.33 77.57 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.8 64.36 0.47 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 125.716 1.606 . . . . 0.0 108.447 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.81 146.72 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.899 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 10.8 mmpt? 66.38 14.48 9.72 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 125.279 1.612 . . . . 0.0 107.907 -169.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 t0 57.2 -173.89 0.08 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.699 2.4 . . . . 0.0 110.627 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -96.53 12.65 30.78 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.657 0.741 . . . . 0.0 109.53 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.62 158.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.807 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -96.9 92.89 6.33 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.839 0.828 . . . . 0.0 111.166 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -100.05 106.51 18.27 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 137.43 53.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 174.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 4.2 tp10 -87.06 104.06 15.97 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.136 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -66.85 -45.58 77.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -154.41 148.25 25.52 Favored 'General case' 0 N--CA 1.424 -1.761 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.449 ' HB3' ' HG2' ' A' ' 56' ' ' GLU . 7.2 p80 -127.65 173.77 9.63 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 62' ' ' HIS . 19.1 t-80 73.81 -50.48 0.69 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.173 1.789 . . . . 0.0 109.969 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 63.61 36.53 10.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.371 1.468 . . . . 0.0 109.366 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' HB3' ' ND1' ' A' ' 60' ' ' HIS . 24.6 t60 . . . . . 0 C--N 1.296 -1.731 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtm . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.9 103.09 3.61 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptm -141.51 -10.37 0.94 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 -41.32 94.92 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.56 -29.71 66.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.273 0.558 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -69.43 -47.75 63.09 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.257 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -32.01 71.48 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.28 -46.24 91.17 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -70.65 -31.87 68.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.0 -52.13 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 34.5 mm-40 -58.65 -48.26 81.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.462 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -58.41 -47.73 82.98 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.869 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -67.6 -39.73 84.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 110.291 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.5 ttpt -55.11 -51.38 66.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.475 1.11 . . . . 0.0 108.346 174.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.7 mtpm? -65.12 -37.61 88.01 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.581 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.3 mt-10 -56.31 -45.19 80.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.302 0.573 . . . . 0.0 109.705 174.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.401 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.09 -44.04 73.31 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.335 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.1 mt -57.76 -43.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 O-C-N 123.244 0.34 . . . . 0.0 110.092 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.39 -31.72 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.763 0.316 . . . . 0.0 110.996 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 89.9 mt -71.28 -50.04 36.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.041 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.3 -27.29 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.173 176.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -47.0 65.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.93 -10.64 60.06 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.187 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.6 t-80 -62.85 -34.57 77.64 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.12 41.69 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.206 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 43.8 mt -95.56 148.76 22.17 Favored 'General case' 0 CA--C 1.488 -1.423 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.815 176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.498 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.4 t70 -74.46 159.92 31.64 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.649 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 m-70 -55.39 -35.68 65.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.882 0.31 . . . . 0.0 111.67 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.974 0.416 . . . . 0.0 110.206 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.534 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mmtt -65.69 -44.02 87.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.076 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 27' ' ' ASP . 41.7 t -60.33 -42.67 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.748 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 78.7 mt -63.96 -47.61 79.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.65 -48.69 80.65 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.8 -51.53 67.88 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.113 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -58.92 -41.13 86.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 15.0 ptm180 -73.33 -41.1 63.89 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.608 -178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.84 -31.08 66.14 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.537 0.684 . . . . 0.0 110.045 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.64 -43.34 72.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.909 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.1 -46.91 82.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.22 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.3 mtpp -62.6 -42.44 99.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.529 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.87 -42.32 99.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.925 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' B' ' 46' ' ' MET . 57.7 mt -66.92 -54.65 22.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.155 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.23 -27.48 62.06 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.31 0.644 . . . . 0.0 112.134 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.53 -53.57 49.77 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD21 ' A' ' 26' ' ' LEU . 37.8 m-85 -74.9 -26.56 59.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 76.8 mtp -68.39 -21.42 64.7 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 173.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 58.89 72.63 0.52 Allowed 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.367 1.467 . . . . 0.0 109.574 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 21.0 m -76.5 114.32 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.312 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -104.83 69.83 0.89 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 107.595 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -125.72 -170.55 2.2 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.769 -1.559 . . . . 0.0 107.878 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -73.92 34.9 0.09 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.033 0.933 . . . . 0.0 112.944 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.63 176.3 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -76.78 129.25 36.02 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' B' ' 56' ' ' GLU . 56.2 mtpt -65.77 118.21 9.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.522 0.677 . . . . 0.0 112.444 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -84.3 33.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.428 1.108 . . . . 0.0 109.113 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' B' ' 54' ' ' LYS . 38.4 tt0 -55.11 -31.14 61.01 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 126.761 2.024 . . . . 0.0 111.148 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.94 -20.61 66.27 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.976 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.52 10.1 40.66 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.296 0.57 . . . . 0.0 110.188 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -125.0 173.86 8.39 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -70.95 106.58 3.7 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 123.802 0.689 . . . . 0.0 111.559 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -132.9 168.25 18.77 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.83 0.452 . . . . 0.0 111.296 179.315 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 CA--C 1.51 -0.585 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 4' ' ' GLY . 1.3 tm-20 75.19 136.52 0.06 Allowed 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.734 1.214 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 23.9 ptp -79.78 -26.42 40.63 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . -72.14 -43.46 47.79 Favored Glycine 0 C--N 1.309 -0.953 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.16 -23.18 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.933 -0.633 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 3' ' ' MET . 3.4 tm? -67.79 -47.29 69.55 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -65.05 -36.38 84.16 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.603 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -59.4 -45.82 90.44 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.54 -36.79 79.3 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.69 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.25 -49.08 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.74 -50.91 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.71 0.632 . . . . 0.0 110.77 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.2 -47.73 84.78 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 123.937 0.895 . . . . 0.0 113.384 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -67.59 -37.87 83.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.99 0.424 . . . . 0.0 110.275 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.4 ttpt -57.55 -51.58 68.88 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.465 1.106 . . . . 0.0 108.465 173.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 18' ' ' ILE . 43.3 mttm -60.64 -38.82 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.27 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -57.45 -41.61 80.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.288 0.367 . . . . 0.0 110.25 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.85 -45.79 73.6 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 177.246 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 14' ' ' LYS . 63.0 mt -57.25 -41.91 79.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 O-C-N 123.436 0.46 . . . . 0.0 110.09 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -59.06 -39.54 82.38 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.747 0.419 . . . . 0.0 110.634 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.8 mt -70.34 -47.95 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.614 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.1 p -67.93 -31.66 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 119.644 -0.823 . . . . 0.0 112.315 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.72 -51.93 66.35 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 122.186 -0.321 . . . . 0.0 111.478 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.18 -19.02 61.11 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.781 0.433 . . . . 0.0 111.813 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 79.2 t60 -57.58 -32.85 67.56 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.906 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.05 -0.32 0.7 Allowed Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 119.208 -1.473 . . . . 0.0 113.756 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -63.35 146.72 52.93 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 121.417 0.627 . . . . 0.0 112.599 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -85.64 175.78 8.56 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.9 m-70 -65.64 -38.39 89.22 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.302 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.632 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.5 p-10 -62.9 -39.24 93.92 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.53 -44.05 95.36 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.29 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 27' ' ' ASP . 91.7 t -63.89 -41.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.916 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 85.6 mt -61.73 -50.89 70.62 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.675 0.39 . . . . 0.0 110.975 177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 65.3 mt -63.38 -43.17 98.36 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.33 0.394 . . . . 0.0 111.142 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.26 -54.41 37.65 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.739 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 p -60.44 -41.39 93.94 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.3 ptm180 -69.42 -36.58 76.82 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.58 -38.31 59.22 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.883 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.85 -45.67 91.69 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.404 1.082 . . . . 0.0 110.389 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.3 -44.02 83.73 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.084 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -65.82 -42.43 90.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.052 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.48 -42.03 91.17 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 123.667 0.604 . . . . 0.0 111.106 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.67 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.8 mt -67.84 -57.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.03 -29.46 63.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.115 0.566 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -50.15 69.33 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.08 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.75 -32.61 65.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 71.0 mtp -60.37 -32.79 71.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.05 65.5 0.79 Allowed 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.663 1.185 . . . . 0.0 109.602 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 46' ' ' MET . 17.0 m -144.95 168.68 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.105 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -113.32 23.01 13.67 Favored 'General case' 0 C--N 1.282 -2.344 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.62 125.16 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 127.506 2.322 . . . . 0.0 111.519 -175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -115.86 17.66 15.94 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.282 -174.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.42 -27.64 2.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -103.54 83.22 2.13 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 169.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -139.09 147.33 41.83 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -85.02 141.08 30.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.72 145.58 38.57 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -123.57 141.27 52.17 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.112 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -94.7 -14.24 25.0 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -70.29 -5.79 30.36 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -135.01 144.85 47.56 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -89.7 -39.57 13.09 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 . . . . . 0 C--N 1.299 -1.628 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.737 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.89 143.0 36.32 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 25.6 ptm -108.49 -17.91 13.86 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -45.78 91.76 Favored Glycine 0 CA--C 1.502 -0.764 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 7.9 pt20 -58.79 -41.92 87.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.625 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? -68.64 -45.59 71.41 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.151 -178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' B' ' 3' ' ' MET . 0.0 OUTLIER -64.84 -33.99 77.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -64.47 -42.14 96.1 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.555 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 73.7 mmtt -64.36 -38.53 91.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.15 -46.74 95.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.428 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -58.64 -49.35 77.85 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' 9' ' ' LYS . 22.1 t-20 -51.29 -53.61 34.04 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 125.532 1.533 . . . . 0.0 112.118 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.97 -40.36 65.36 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.108 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 36.2 ttpt -57.84 -47.19 83.41 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.342 0.657 . . . . 0.0 109.607 174.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 37.7 mttp -62.4 -38.29 89.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.631 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.56 -39.12 86.84 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.477 0.656 . . . . 0.0 110.391 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -69.26 -45.48 69.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.673 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.2 mt -54.99 -42.4 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 98.2 mt-30 -58.34 -39.22 78.91 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.958 176.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.46 -49.66 52.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.489 ' O ' HD13 ' B' ' 26' ' ' LEU . 21.7 t -59.49 -39.82 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.305 0.574 . . . . 0.0 110.193 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.39 -46.75 88.84 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.072 0.549 . . . . 0.0 111.927 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.13 -5.36 41.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 111.542 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.1 -30.38 65.02 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.253 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.44 -7.75 0.53 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.201 -1.476 . . . . 0.0 114.142 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.1 mp -55.07 143.28 27.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' B' ' 31' ' ' VAL . 15.8 m-20 -73.81 172.12 12.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.996 -1.456 . . . . 0.0 108.31 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.14 -51.58 68.75 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 123.496 0.718 . . . . 0.0 109.543 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.95 -29.07 67.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.469 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 16.9 mmtp -61.46 -41.72 97.67 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.712 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 27' ' ' ASP . 53.2 t -63.85 -38.35 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.56 -53.45 41.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.361 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.02 -44.15 97.84 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 80.0 t80 -59.82 -52.44 65.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.601 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -60.6 -46.4 90.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.91 -26.68 60.65 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' B' ' 40' ' ' LYS . 18.5 t70 -78.22 -39.9 39.02 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.092 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 7.0 tt -67.31 -34.85 78.24 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.639 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -56.28 -46.89 79.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.158 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.504 ' NZ ' ' HA ' ' B' ' 37' ' ' ASP . 35.7 mtmm -61.97 -37.49 84.99 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.604 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -66.27 -40.5 90.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 46' ' ' MET . 39.9 mt -67.22 -56.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.609 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -52.86 -33.94 52.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.427 0.691 . . . . 0.0 111.569 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -58.59 -48.2 81.72 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.537 0.735 . . . . 0.0 110.356 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.526 ' HB3' HD21 ' A' ' 26' ' ' LEU . 34.9 m-85 -80.4 -27.48 38.11 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.8 mtp -74.36 -21.29 59.74 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 65.6 17.73 11.0 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.154 0.981 . . . . 0.0 109.629 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.16 107.29 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.658 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -107.6 40.91 1.61 Allowed 'General case' 0 C--N 1.265 -3.083 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.586 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.23 79.04 2.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.316 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -129.35 12.48 5.99 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.489 -1.687 . . . . 0.0 107.057 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.96 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.281 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -77.2 104.4 7.68 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.824 0.821 . . . . 0.0 109.942 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.9 130.19 34.62 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.459 HD23 ' H ' ' B' ' 55' ' ' LEU . 2.5 pt? -73.68 143.0 46.4 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.139 0.495 . . . . 0.0 111.297 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -115.39 144.02 44.42 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.54 54.23 2.57 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.298 0.571 . . . . 0.0 111.66 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -63.51 -12.24 30.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.926 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -67.21 -31.46 71.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -120.7 -29.54 4.67 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.301 0.572 . . . . 0.0 110.241 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -81.66 106.03 13.28 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.204 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--N 1.287 -2.133 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.001 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm . . . . . 0 CA--C 1.503 -0.827 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.68 122.78 23.75 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.496 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 26.6 ptt? -56.59 -29.94 62.64 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.84 -51.66 38.97 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.2 mt-30 -63.67 -45.32 90.66 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 109.716 176.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 3.1 tm? -57.29 -42.29 81.43 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.257 1.023 . . . . 0.0 110.737 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -66.13 -34.55 78.32 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.096 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.0 mmtt -67.83 -38.54 83.35 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.48 -48.09 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.575 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 76.7 mm-40 -56.49 -50.43 71.79 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.806 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.49 -44.46 95.94 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.335 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -66.05 -43.36 87.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.06 0.457 . . . . 0.0 110.268 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HD3' HD12 ' A' ' 42' ' ' ILE . 37.6 ttpt -56.48 -49.08 75.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -63.99 -38.07 89.75 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.589 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.79 -46.35 84.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.437 0.637 . . . . 0.0 109.509 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 17' ' ' LEU . 1.1 tm? -66.31 -44.91 82.08 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.258 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.7 mt -58.02 -41.02 79.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 O-C-N 123.335 0.397 . . . . 0.0 110.223 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.06 -39.73 93.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.846 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.83 -52.16 58.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.716 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.496 HG21 ' CE2' ' A' ' 34' ' ' PHE . 10.0 m -61.4 -34.66 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.567 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -63.52 -51.82 63.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.232 0.613 . . . . 0.0 111.253 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.41 -18.62 64.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.981 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.413 ' ND1' HD12 ' B' ' 6' ' ' LEU . 23.4 t60 -63.41 -39.06 93.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.552 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.44 -16.36 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 118.889 -1.624 . . . . 0.0 114.335 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.9 mp -55.21 144.45 24.43 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -75.35 168.86 19.19 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.76 -1.564 . . . . 0.0 107.524 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 m80 -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.227 0.537 . . . . 0.0 109.729 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 m-20 -62.94 -34.71 78.05 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.62 -44.52 93.69 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.612 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.6 t -61.35 -43.57 96.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 123.715 0.635 . . . . 0.0 109.735 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 77.3 mt -61.7 -53.5 55.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.87 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.1 mt -62.95 -41.96 99.67 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.606 0.241 . . . . 0.0 111.066 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' VAL . 75.5 t80 -61.62 -51.25 69.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.261 0.624 . . . . 0.0 111.354 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.5 p -61.14 -35.07 76.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.335 0.397 . . . . 0.0 111.516 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.0 mtp180 -68.29 -51.91 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.389 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.03 -39.01 92.74 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.63 -176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.42 -43.49 85.53 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.288 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.71 -47.67 83.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 7.9 mptt -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.995 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 61.3 tp -62.62 -42.58 99.67 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 109.844 174.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.495 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.8 mt -65.37 -50.8 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.159 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.368 178.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -57.13 -32.33 66.25 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.5 ttmm -60.94 -50.13 74.64 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 123.971 0.908 . . . . 0.0 110.527 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.58 -32.54 41.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 121.116 0.484 . . . . 0.0 112.082 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.6 mmm -75.34 -8.13 55.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.807 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 61.54 30.57 18.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 124.56 1.144 . . . . 0.0 111.435 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.1 t -88.54 109.24 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.259 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -113.82 103.55 11.31 Favored 'General case' 0 C--N 1.262 -3.209 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.51 95.11 0.8 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.839 0.828 . . . . 0.0 111.629 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -104.29 -1.66 26.7 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.184 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -100.74 168.79 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.111 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -80.43 103.41 10.27 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.76 93.53 7.43 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.14 112.63 4.0 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 113.776 -1.557 . . . . 0.0 109.632 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -148.84 82.62 1.45 Allowed 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -88.72 -55.1 3.84 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -147.05 110.36 4.83 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -124.46 105.2 9.22 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -85.81 128.58 34.85 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -78.98 92.71 4.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 122.586 1.184 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 . . . . . 0 N--CA 1.424 -1.754 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.323 176.371 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.455 0.169 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.618 ' HG3' ' H ' ' B' ' 5' ' ' GLN . 10.0 tp10 -95.75 139.77 31.5 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-O 121.148 0.499 . . . . 0.0 111.304 -174.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ptp -104.87 -27.82 11.49 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.205 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 -52.03 33.5 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.618 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 57.2 mt-30 -64.63 -21.82 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.889 0.376 . . . . 0.0 110.965 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.413 HD12 ' ND1' ' A' ' 24' ' ' HIS . 3.4 tm? -72.95 -47.47 45.28 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HB ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -67.0 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.83 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -69.78 -31.86 70.02 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -70.48 -33.79 71.65 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.108 172.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 65.9 mt -58.7 -48.51 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -54.27 -52.78 60.32 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.881 0.738 . . . . 0.0 110.045 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.1 -41.98 93.72 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.396 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.72 -42.22 74.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.5 ttpt -53.96 -49.42 68.79 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.714 1.206 . . . . 0.0 108.715 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.97 -40.89 97.45 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.707 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.71 -41.53 73.94 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 121.398 0.618 . . . . 0.0 110.395 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.407 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -70.93 -42.07 70.33 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.433 -178.29 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.7 mt -58.5 -42.98 85.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.62 -24.52 67.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.05 -53.75 7.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.148 -0.345 . . . . 0.0 111.382 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.72 -34.26 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.439 0.638 . . . . 0.0 111.037 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.65 -43.97 87.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.417 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.31 -10.69 59.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.117 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.43 ' ND1' HD12 ' A' ' 6' ' ' LEU . 8.9 t60 -68.84 -48.38 63.62 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.77 34.08 0.02 OUTLIER Glycine 0 N--CA 1.434 -1.491 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.385 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 57.5 mt -90.64 144.41 25.77 Favored 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.755 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.44 ' O ' HG23 ' B' ' 31' ' ' VAL . 3.0 m-20 -70.27 158.74 35.34 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 47.2 m80 -59.3 -35.63 74.13 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 118.357 0.526 . . . . 0.0 111.192 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.35 -34.42 77.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.451 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.684 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 31.6 mmtp -65.82 -46.6 78.02 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.898 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 27' ' ' ASP . 23.2 t -56.92 -43.39 80.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 123.827 0.704 . . . . 0.0 110.182 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 59.1 mt -64.81 -51.93 59.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -38.09 89.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.44 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.36 -51.98 38.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.229 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 45.4 p -57.78 -36.84 72.72 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 7.7 ptm180 -78.4 -35.78 46.65 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.856 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.51 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 t70 -78.53 -28.02 46.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.609 0.719 . . . . 0.0 109.525 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 tp -67.05 -43.31 83.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.85 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.13 -43.52 98.76 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 46.8 mtpt -55.76 -48.7 74.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.254 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.0 tt -62.21 -45.55 92.84 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.812 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.527 ' O ' ' HG2' ' B' ' 46' ' ' MET . 52.4 mt -65.88 -48.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.814 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -57.37 -34.4 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.406 0.146 . . . . 0.0 111.168 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 34.9 ttmt -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.256 1.022 . . . . 0.0 110.475 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 26' ' ' LEU . 21.0 m-85 -77.51 -29.92 52.71 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.3 mmm -69.49 -29.58 67.25 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.22 4.52 4.9 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.616 1.566 . . . . 0.0 111.16 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.88 126.33 36.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.55 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -113.8 85.09 2.14 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.404 ' HB2' HG22 ' B' ' 52' ' ' VAL . 3.7 p30 -107.13 154.5 21.08 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.915 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -126.13 18.64 7.72 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' B' ' 50' ' ' ASP . 34.6 m -100.27 17.91 3.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.723 -175.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -85.15 161.89 19.46 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.025 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -110.65 131.06 55.37 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.873 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -111.16 135.94 50.95 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -160.7 167.01 27.79 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -81.43 147.75 29.61 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.004 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.2 t60 178.54 -48.78 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -90.47 121.66 32.62 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -82.85 131.33 35.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.101 0.477 . . . . 0.0 111.865 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -73.85 -49.98 22.52 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.489 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 m80 . . . . . 0 C--O 1.26 1.624 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.787 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 CA--C 1.51 -0.558 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 5' ' ' GLN . 12.0 tp10 70.2 112.55 0.05 Allowed 'General case' 0 C--O 1.248 0.988 0 C-N-CA 124.733 1.213 . . . . 0.0 111.431 -177.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -69.83 -27.15 64.62 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.855 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.19 -40.86 99.6 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 90.3 mt-30 -84.17 -15.56 46.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.116 0.484 . . . . 0.0 110.499 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.68 -45.84 56.82 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -29.04 68.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.639 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 25.9 t-20 -59.56 -48.54 81.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.722 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.64 -40.63 97.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.06 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.36 -50.15 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.085 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -58.05 -52.17 66.65 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.079 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -57.8 -45.46 86.04 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 124.079 0.862 . . . . 0.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -68.54 -46.27 69.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.987 0.423 . . . . 0.0 110.874 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.6 ttpt -58.66 -42.13 87.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.699 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.52 -39.97 92.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.651 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.48 -40.08 74.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.651 0.739 . . . . 0.0 109.172 173.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.77 -47.29 69.61 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.546 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.0 mt -56.92 -40.89 75.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.32 -39.0 91.61 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.687 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.39 -46.8 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' HD13 ' A' ' 26' ' ' LEU . 89.4 t -57.3 -43.18 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.891 0.377 . . . . 0.0 110.337 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.99 67.2 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.563 0.745 . . . . 0.0 112.014 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -66.59 -18.56 65.43 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -60.83 -31.55 70.97 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.544 0.212 . . . . 0.0 110.951 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.85 11.42 0.12 Allowed Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 119.356 -1.402 . . . . 0.0 113.745 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.3 mp -75.59 149.39 38.29 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.0 m-20 -87.05 171.04 11.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.535 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 p-80 -56.17 -48.78 75.66 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -63.34 -37.62 87.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.498 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -60.24 -46.04 91.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.531 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.7 t -61.77 -43.23 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.3 mt -63.0 -50.27 71.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.42 -42.42 98.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.99 -54.74 37.47 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 123.467 0.479 . . . . 0.0 110.83 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -58.97 -41.2 86.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -74.35 -35.07 63.57 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.106 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.03 -32.23 61.52 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.05 -46.53 80.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.214 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.54 -42.7 97.07 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -61.91 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.073 1.349 . . . . 0.0 112.111 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 5.1 tt -60.43 -40.38 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.546 HD12 ' HD3' ' A' ' 14' ' ' LYS . 87.0 mt -73.98 -43.57 52.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.44 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -57.72 -29.22 64.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.975 0.51 . . . . 0.0 110.617 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 35.6 ttmt -62.45 -49.2 76.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.193 0.997 . . . . 0.0 110.029 176.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' B' ' 26' ' ' LEU . 73.0 m-85 -83.32 -29.96 27.89 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.448 ' HB2' HG23 ' A' ' 48' ' ' VAL . 87.5 mmm -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 68.49 66.3 0.32 Allowed 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.337 1.455 . . . . 0.0 108.016 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 46' ' ' MET . 58.5 t -109.46 110.34 31.74 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.353 0 CA-C-N 113.902 -1.499 . . . . 0.0 107.622 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -91.09 111.21 22.58 Favored 'General case' 0 C--N 1.266 -3.025 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.596 ' OD1' HG22 ' A' ' 52' ' ' VAL . 31.5 t70 -44.68 133.64 5.87 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -175.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -124.64 17.6 8.78 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.757 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.596 HG22 ' OD1' ' A' ' 50' ' ' ASP . 15.0 m -97.46 -33.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.327 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.6 7.82 4.51 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.61 0.719 . . . . 0.0 110.649 174.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp 61.46 33.48 18.58 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.458 172.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.34 125.75 49.15 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.538 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.38 -60.31 2.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.129 0.49 . . . . 0.0 109.749 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -109.56 146.9 33.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -107.0 109.77 21.75 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -75.34 122.99 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 62.23 -175.17 0.14 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.246 0.618 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -149.32 123.98 9.81 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 C--N 1.299 -1.598 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -174.778 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.85 -9.85 58.94 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 3.8 mpp? -65.99 -29.25 69.6 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.66 -36.45 48.37 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 14.9 mm-40 -69.1 -43.26 74.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.1 -43.82 91.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.275 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -67.08 -27.85 67.7 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.255 179.284 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -74.27 -34.11 63.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 30.5 mmmt -65.26 -38.56 90.68 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 56.5 mt -60.32 -49.84 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.781 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 17.0 mm-40 -52.1 -53.88 37.16 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 123.28 0.632 . . . . 0.0 109.989 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.69 -47.62 79.47 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.389 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.8 -39.01 84.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 110.12 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.453 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -57.36 -47.82 80.62 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.277 1.031 . . . . 0.0 108.372 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -65.86 -41.71 91.3 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.634 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.42 -42.73 74.56 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.301 0.572 . . . . 0.0 109.509 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 21' ' ' VAL . 19.7 tp -68.24 -46.28 70.95 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.748 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.8 mt -53.89 -43.64 57.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 123.623 0.577 . . . . 0.0 110.288 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.7 mt-30 -56.45 -42.51 78.28 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.769 0.668 . . . . 0.0 110.764 176.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.16 -49.76 53.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.648 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 26' ' ' LEU . 20.5 t -62.41 -36.23 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-O 121.375 0.607 . . . . 0.0 110.296 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.88 -48.06 80.64 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.503 0.721 . . . . 0.0 111.763 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.31 -13.13 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 37.6 t-80 -60.28 -31.92 70.7 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.384 0.427 . . . . 0.0 110.312 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.58 -6.29 0.39 Allowed Glycine 0 CA--C 1.492 -1.403 0 C-N-CA 118.859 -1.639 . . . . 0.0 113.489 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.52 140.12 47.29 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.9 0.857 . . . . 0.0 112.917 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 31' ' ' VAL . 4.9 m-20 -72.33 167.13 21.09 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.005 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.426 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 44.7 m80 -62.94 -35.96 81.85 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 120.957 0.408 . . . . 0.0 109.948 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.62 -41.48 98.29 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.279 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -61.9 -38.33 87.96 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.17 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.1 t -64.71 -42.37 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 91.9 mt -60.27 -52.79 63.76 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.816 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.72 -44.93 86.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.884 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.61 -49.81 75.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.8 p -60.81 -38.88 86.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.35 -38.58 55.65 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.79 -43.62 88.21 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.08 -42.56 76.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.882 -1.508 . . . . 0.0 111.649 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.67 -42.39 96.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.611 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.39 -35.56 77.87 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.499 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.18 -40.4 97.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.203 0.525 . . . . 0.0 109.726 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' B' ' 46' ' ' MET . 60.4 mt -69.7 -45.74 76.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.243 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -56.71 -34.82 67.83 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.896 0.478 . . . . 0.0 111.011 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -60.04 -55.11 38.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.885 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 26' ' ' LEU . 62.6 m-85 -76.6 -24.78 53.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.53 ' HB2' HG23 ' B' ' 48' ' ' VAL . 13.4 mmt -71.93 -23.46 61.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 55.3 t30 67.6 64.8 0.4 Allowed 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 108.795 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' B' ' 46' ' ' MET . 61.2 t -113.16 113.17 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.074 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.255 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' B' ' 49' ' ' LYS . 47.9 mtpt -93.48 108.84 20.46 Favored 'General case' 0 N--CA 1.397 -3.089 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.35 103.3 0.18 Allowed 'General case' 0 C--N 1.31 -1.123 0 O-C-N 124.395 1.059 . . . . 0.0 108.805 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -94.77 17.37 13.7 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.921 0.867 . . . . 0.0 111.676 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 30.1 m -82.02 138.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 168.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.411 ' HB2' ' NE2' ' B' ' 57' ' ' HIS . 29.2 m170 -76.01 -27.81 57.53 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.902 -173.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt 178.77 153.87 0.39 Allowed 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -94.25 145.79 24.47 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 171.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 68.21 44.83 1.33 Allowed 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 -167.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' HIS . . . . . 0.411 ' NE2' ' HB2' ' B' ' 53' ' ' HIS . 53.7 t-80 -74.17 122.86 23.44 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 112.596 -2.093 . . . . 0.0 112.298 -172.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -140.86 -62.37 0.48 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.7 m80 58.55 33.36 23.04 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.166 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -86.69 102.26 14.05 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.172 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.08 127.95 35.73 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.182 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -178.228 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.03 128.05 34.49 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-O 121.521 0.677 . . . . 0.0 111.776 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -21.65 66.63 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.359 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.38 -43.52 96.69 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 76.7 mt-30 -78.88 -21.66 47.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.043 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.3 tm? -64.57 -44.06 91.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 172.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 2.7 mmmt -58.97 -44.74 91.57 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.978 176.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.75 -34.78 76.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.894 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.3 mttm -66.66 -41.98 87.32 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.07 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.57 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 23.6 mm-40 -55.57 -52.39 63.91 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 123.836 0.71 . . . . 0.0 110.341 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.72 -49.19 73.71 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.777 0.673 . . . . 0.0 111.708 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -67.39 -42.15 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.283 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -55.62 -49.54 72.54 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.773 1.229 . . . . 0.0 108.839 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.3 mtpp -63.73 -40.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.833 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -55.19 -42.86 73.8 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.461 0.648 . . . . 0.0 109.73 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -70.8 -43.0 69.54 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.78 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.3 mt -58.64 -41.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.22 -33.21 74.13 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.472 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.8 mt -69.96 -52.22 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.8 m -62.22 -30.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.623 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -49.96 67.74 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.353 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -66.01 -18.33 65.27 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.063 0.458 . . . . 0.0 111.94 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -55.86 -38.99 70.85 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.137 171.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.98 35.69 0.17 Allowed Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 120.178 -1.011 . . . . 0.0 112.937 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 39.0 mt -89.95 151.71 21.57 Favored 'General case' 0 CA--C 1.484 -1.559 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.176 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.8 m-20 -76.75 167.22 22.22 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.656 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -59.61 -40.59 88.02 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.97 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 72.1 mmtt -62.55 -49.4 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 27' ' ' ASP . 70.5 t -58.76 -45.01 91.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 123.67 0.606 . . . . 0.0 110.071 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 80.0 mt -65.71 -52.84 48.09 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.66 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -40.74 91.43 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.427 -0.109 . . . . 0.0 111.054 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -61.92 -52.77 62.72 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.595 0.559 . . . . 0.0 111.005 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.0 p -61.68 -35.14 77.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.7 mtp180 -66.9 -46.74 73.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.32 0.387 . . . . 0.0 110.571 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.05 -31.6 62.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.113 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' ILE . 21.8 tp -63.62 -47.06 82.92 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.59 0.756 . . . . 0.0 110.122 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -55.4 -50.49 69.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.922 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -62.32 -39.28 92.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.211 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 40.8 tp -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.037 0.535 . . . . 0.0 111.53 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.7 mt -68.28 -51.67 45.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -54.3 -33.06 57.92 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.982 0.913 . . . . 0.0 111.144 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 40.3 ttmt -57.44 -47.24 82.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.171 0.988 . . . . 0.0 109.954 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -82.22 -33.63 29.24 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.165 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.7 mtp -68.54 -32.15 71.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.283 0.563 . . . . 0.0 109.753 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 82.17 -10.21 1.13 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.575 1.95 . . . . 0.0 111.165 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.66 128.31 39.32 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.263 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -123.22 32.28 5.72 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -58.48 112.5 1.61 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.54 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 8.12 43.45 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.412 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 m -94.73 76.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.26 1.029 . . . . 0.0 111.216 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -89.27 -37.46 14.93 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -118.46 111.05 18.16 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.702 -2.044 . . . . 0.0 107.916 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 138.79 31.24 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.91 -47.51 52.1 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 59' ' ' HIS . 52.9 m80 -151.77 168.61 24.53 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.683 -2.339 . . . . 0.0 104.683 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -79.37 -31.7 42.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 172.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 57' ' ' HIS . 66.9 m-70 65.52 -159.4 0.27 Allowed 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.236 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.407 ' H ' ' HB3' ' A' ' 59' ' ' HIS . 68.0 m80 81.53 -36.52 0.11 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.615 1.166 . . . . 0.0 111.009 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -67.06 -39.75 86.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 N--CA 1.434 -1.235 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 174.731 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 C--O 1.225 -0.218 0 N-CA-C 110.731 -0.1 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.497 ' HG3' ' H ' ' B' ' 5' ' ' GLN . 10.2 tp10 -107.95 112.11 24.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.119 0.485 . . . . 0.0 110.435 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 67.7 mtm -75.18 -20.9 59.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.1 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.63 -36.81 93.83 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 85.2 mm-40 -81.55 -21.11 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 120.847 0.356 . . . . 0.0 110.627 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.18 -45.46 66.63 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.3 OUTLIER -63.96 -32.94 74.65 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.742 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 25.5 t-20 -59.29 -45.97 89.83 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 124.076 0.95 . . . . 0.0 109.638 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 74.7 mmtt -68.56 -34.16 75.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.407 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.94 -47.7 91.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 19.7 mm-40 -55.82 -49.26 73.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.83 -52.44 62.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.468 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -69.8 -40.57 75.88 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.463 -174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.571 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -54.26 -50.42 67.27 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 124.363 1.065 . . . . 0.0 108.365 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.9 mtpm? -64.12 -40.23 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.16 -41.48 79.29 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.408 0.623 . . . . 0.0 109.862 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -71.25 -43.6 66.93 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.459 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.7 mt -55.47 -42.83 69.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 96.4 mt-30 -62.59 -35.15 78.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.944 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 83.1 mt -72.34 -47.45 49.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.119 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 25.3 t -60.26 -37.38 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.325 0.583 . . . . 0.0 110.233 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.31 -48.89 77.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.403 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 14.5 ptm180 -73.38 -7.43 51.65 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.043 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.8 t60 -64.11 -40.49 96.32 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.21 0.03 OUTLIER Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.7 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.654 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 22.7 mt -95.99 143.77 26.87 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-O 121.239 0.542 . . . . 0.0 112.042 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.03 162.94 28.73 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 172.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 90.1 m-70 -60.06 -34.14 73.02 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.971 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.461 ' O ' HD13 ' B' ' 33' ' ' LEU . 4.7 p-10 -64.96 -38.03 89.61 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.9 mmtm -62.54 -45.19 94.1 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.39 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.5 -41.45 87.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 O-C-N 123.529 0.518 . . . . 0.0 110.09 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 73.0 mt -65.13 -49.53 69.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.199 0.523 . . . . 0.0 110.48 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.461 HD13 ' O ' ' B' ' 29' ' ' ASP . 9.0 mp -65.07 -37.43 87.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.51 -48.59 63.99 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -59.31 -42.68 91.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.52 -26.13 59.79 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 6.2 t70 -80.72 -40.66 24.9 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -62.1 -45.05 95.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.327 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.82 -41.38 86.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.2 0.524 . . . . 0.0 110.089 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 4.7 ttmp? -62.06 -46.43 89.16 Favored 'General case' 0 N--CA 1.407 -2.596 0 C-N-CA 124.624 1.169 . . . . 0.0 111.106 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.35 -38.32 90.61 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.157 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.568 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.6 mt -68.17 -54.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.44 -33.04 58.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.903 0.481 . . . . 0.0 111.614 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -59.13 -55.45 34.86 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 109.474 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.407 ' O ' HD21 ' A' ' 26' ' ' LEU . 41.0 m-85 -75.31 -27.88 59.47 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 27.4 mtp -72.94 -24.4 60.8 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.69 24.56 3.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.186 1.794 . . . . 0.0 109.062 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 t 57.51 103.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 C-N-CA 125.425 1.49 . . . . 0.0 111.421 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.629 ' HG3' ' NE2' ' A' ' 24' ' ' HIS . 13.0 mmmm -113.91 28.88 8.42 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -102.73 114.13 28.12 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -87.78 6.81 33.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.024 0.916 . . . . 0.0 111.679 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -84.2 123.16 38.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 114.671 -1.15 . . . . 0.0 107.936 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -93.3 34.85 1.11 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.809 0.338 . . . . 0.0 111.324 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 63.09 84.02 0.15 Allowed 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.921 1.288 . . . . 0.0 111.393 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.565 HD23 ' H ' ' B' ' 55' ' ' LEU . 1.9 pt? -72.27 108.39 5.39 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.796 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.12 91.84 7.77 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.112 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.29 -57.29 0.37 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 33.6 m80 67.19 174.76 0.26 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.272 -1.331 . . . . 0.0 112.755 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -129.2 -34.45 1.87 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 69.67 75.86 0.22 Allowed 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -74.97 129.46 37.68 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.857 -1.519 . . . . 0.0 109.065 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 34.1 m80 . . . . . 0 C--O 1.249 1.028 0 O-C-N 124.772 1.295 . . . . 0.0 110.609 -178.704 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 CA--C 1.507 -0.689 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 41.9 mt-10 -127.82 152.84 47.3 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt -84.56 -25.76 28.47 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.43 -35.28 91.48 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.323 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 18.1 pt20 -71.76 -31.99 67.21 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.465 HD12 ' HD1' ' B' ' 24' ' ' HIS . 3.1 tm? -72.32 -44.38 62.78 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -66.13 -31.18 71.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -66.15 -43.2 87.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -59.99 -43.22 95.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.977 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.8 mt -55.27 -46.9 78.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 O-C-N 123.749 0.655 . . . . 0.0 110.139 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 25.5 mm-40 -56.74 -53.34 58.89 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.241 0.338 . . . . 0.0 111.253 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 37.4 m-80 -58.55 -49.52 77.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 O-C-N 123.997 0.811 . . . . 0.0 111.533 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' HD2' ' B' ' 13' ' ' LYS . 11.1 tppt? -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.986 -176.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.7 ttpt -55.65 -52.3 64.29 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 125.112 1.365 . . . . 0.0 108.841 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.47 -38.98 93.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.706 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 48.3 mt-10 -57.27 -44.21 83.77 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.461 0.648 . . . . 0.0 109.702 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -69.99 -41.53 74.29 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.289 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.6 mt -57.8 -42.02 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.48 -33.25 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.701 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' B' ' 10' ' ' ILE . 86.3 mt -71.35 -48.86 47.65 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.505 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 26' ' ' LEU . 16.6 m -63.52 -32.36 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.362 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.19 -51.77 66.49 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.772 0.429 . . . . 0.0 111.504 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.4 -19.0 65.23 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.114 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 45.5 t-80 -59.65 -34.48 72.87 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.735 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.12 -5.12 0.46 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.302 -1.428 . . . . 0.0 114.041 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.2 mp -57.04 145.11 31.69 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.0 m-20 -79.99 170.34 16.6 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 29.3 t-80 -60.79 -40.72 93.68 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.87 -43.24 85.86 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -62.57 -43.13 99.59 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.911 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.9 t -62.7 -40.49 88.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 123.605 0.566 . . . . 0.0 109.871 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.2 mt -64.72 -53.3 49.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.64 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.13 -43.53 91.99 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.988 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.85 -52.13 65.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' HD13 ' A' ' 18' ' ' ILE . 33.5 p -63.89 -34.93 79.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 20.7 mtp180 -60.8 -55.11 36.95 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.97 -40.53 91.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.515 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -47.0 87.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.74 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.75 -46.21 90.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.193 0.52 . . . . 0.0 109.746 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.9 -36.8 80.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.731 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.198 0.523 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' MET . 73.0 mt -67.33 -45.16 86.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.331 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.74 -35.59 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.199 0.523 . . . . 0.0 110.646 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.25 -46.47 86.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.132 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.85 -26.08 49.13 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 14.9 mmt -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 172.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.5 t30 64.96 32.07 10.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.067 2.147 . . . . 0.0 110.064 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 t 60.67 103.58 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.006 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -100.39 104.85 16.29 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.111 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -158.95 -166.75 1.93 Allowed 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 -172.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -103.56 15.42 28.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.68 144.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.471 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.878 -174.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -71.01 116.8 11.72 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.8 150.87 23.7 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD23 ' H ' ' A' ' 55' ' ' LEU . 2.1 pt? -57.11 129.85 43.53 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.978 0.799 . . . . 0.0 111.408 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' OE2' ' HA ' ' A' ' 60' ' ' HIS . 9.1 pt-20 -86.45 129.42 34.86 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.696 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -107.49 -31.09 8.28 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -124.83 161.8 25.71 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 65.88 29.12 10.55 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.85 0.86 . . . . 0.0 111.172 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.49 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 15.9 m80 -51.46 134.8 28.51 Favored 'General case' 0 C--O 1.25 1.125 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -90.23 160.56 16.13 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.341 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 C--N 1.299 -1.598 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.174 -177.006 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.836 0.827 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -84.35 149.38 26.07 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.38 -171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -60.69 -25.36 66.34 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.18 -27.94 73.53 Favored Glycine 0 C--N 1.322 -0.241 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -87.01 -35.01 19.03 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.24 -45.52 94.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.636 -1.166 . . . . 0.0 109.014 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -30.57 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.343 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -67.79 -42.37 81.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -70.09 -31.19 68.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' A' ' 20' ' ' LEU . 54.2 mt -60.55 -47.05 94.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.51 -52.83 60.74 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.876 0.735 . . . . 0.0 109.733 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.5 -49.72 69.51 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.672 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.508 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 1.5 tppp? -66.97 -39.34 87.2 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.9 ttpt -59.88 -45.68 91.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.751 0.821 . . . . 0.0 109.351 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 85.2 mttt -64.95 -38.87 92.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.958 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -55.86 -41.74 74.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.611 0.719 . . . . 0.0 109.383 172.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -68.43 -44.39 75.06 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.437 -179.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 79.8 mt -57.76 -40.16 74.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 53.0 mt-30 -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.047 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.512 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.6 mp -59.96 -54.14 49.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.3 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.2 -38.48 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-O 121.322 0.582 . . . . 0.0 111.088 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.62 67.86 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.736 0.814 . . . . 0.0 112.312 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 16.2 ptm180 -73.25 -11.25 60.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.702 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.465 ' HD1' HD12 ' A' ' 6' ' ' LEU . 15.5 t60 -64.19 -57.61 9.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.46 0.05 OUTLIER Glycine 0 N--CA 1.426 -1.991 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.783 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 45.3 mt -102.33 155.91 17.93 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.284 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 31' ' ' VAL . 18.4 m-20 -97.68 171.19 8.5 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.573 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 28.0 t60 -57.47 -38.01 73.81 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.46 0.475 . . . . 0.0 111.663 -173.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.1 -40.7 96.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 111.01 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.0 mmtt -64.8 -43.38 93.37 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.2 t -58.61 -43.8 88.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.539 0.524 . . . . 0.0 110.202 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 60.8 mt -65.15 -48.49 73.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.264 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.37 -41.03 90.03 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.053 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.31 -54.44 36.98 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 123.758 0.661 . . . . 0.0 110.897 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 38.4 p -57.74 -39.99 78.64 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -78.78 -30.42 45.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.771 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.8 t70 -74.43 -37.55 63.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.86 -47.82 84.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.344 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.28 -42.24 81.26 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.88 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 14.0 pttm -65.95 -39.74 90.72 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.741 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.94 -37.61 88.22 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.376 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.0 mt -70.55 -54.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.782 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.405 ' HB3' HG21 ' B' ' 48' ' ' VAL . 82.3 m-20 -53.94 -37.52 63.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.151 0.58 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -58.87 -48.39 81.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.716 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -78.84 -29.51 44.68 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.9 mtp -68.53 -19.44 64.5 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 70.43 70.23 0.21 Allowed 'General case' 0 C--O 1.247 0.959 0 C-N-CA 125.499 1.52 . . . . 0.0 109.4 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.405 HG21 ' HB3' ' B' ' 43' ' ' ASN . 28.4 m -85.6 118.16 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.829 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.646 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -94.17 89.27 5.91 Favored 'General case' 0 C--N 1.262 -3.225 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.164 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.54 ' OD1' ' HG2' ' B' ' 51' ' ' LYS . 5.8 t70 -148.27 -165.98 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' B' ' 50' ' ' ASP . 17.6 pttm -108.82 12.52 25.51 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-O 122.801 1.286 . . . . 0.0 108.379 -173.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.63 -19.65 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.034 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.199 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -96.85 84.7 3.63 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 121.938 0.875 . . . . 0.0 108.863 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.92 96.73 9.9 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 tp -76.68 90.15 3.39 Favored 'General case' 0 N--CA 1.4 -2.94 0 CA-C-O 122.707 1.241 . . . . 0.0 113.058 -171.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -159.93 81.88 0.72 Allowed 'General case' 0 C--N 1.269 -2.917 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.933 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -125.78 -62.81 1.16 Allowed 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.509 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -140.0 78.54 1.66 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.782 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -86.37 132.83 33.87 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -91.36 106.39 18.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.326 0.584 . . . . 0.0 109.439 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -128.04 -174.45 3.21 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 38.9 m80 . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.157 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 tpp . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -92.43 110.74 22.15 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -177.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.9 mtt -88.38 -15.48 35.44 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.16 97.9 Favored Glycine 0 N--CA 1.438 -1.172 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 21.0 pt20 -64.88 -37.2 86.83 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.569 0.747 . . . . 0.0 110.885 177.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -71.1 -46.08 62.45 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 8.1 mmmt -62.1 -35.35 78.42 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.478 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -60.66 -47.0 88.21 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 123.67 0.606 . . . . 0.0 110.573 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.07 -40.44 95.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.85 -52.72 58.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.863 0.727 . . . . 0.0 110.458 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 17.1 mm-40 -54.39 -49.45 69.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 124.929 1.291 . . . . 0.0 111.461 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.67 -40.62 72.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.843 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 29.4 ttpt -58.31 -44.46 88.59 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.244 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' ILE . 58.1 mtpt -64.21 -41.28 97.11 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.649 0.78 . . . . 0.0 111.808 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.2 -42.3 81.03 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.773 0.67 . . . . 0.0 109.741 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.9 tp -65.15 -46.49 80.68 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.233 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -53.67 -42.79 52.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 123.807 0.692 . . . . 0.0 110.224 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -61.34 -34.97 76.15 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.673 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.61 -47.68 30.89 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.364 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.526 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.1 t -62.25 -34.54 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.24 0.543 . . . . 0.0 109.865 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.71 -51.98 65.07 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.165 0.586 . . . . 0.0 111.755 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -64.82 -17.87 64.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 69.3 t60 -57.17 -34.6 68.63 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.457 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.57 -15.0 0.25 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.85 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.5 mp -57.1 146.98 25.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 t70 -95.2 176.72 6.11 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 t-80 -58.91 -37.85 77.57 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 123.189 0.596 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.32 -38.29 90.5 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.321 0.582 . . . . 0.0 110.115 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -72.4 -37.74 68.62 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.652 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 83.5 t -66.6 -39.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 94.6 mt -63.25 -53.86 46.37 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.226 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.04 -42.03 97.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.414 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -65.02 -49.53 69.83 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.2 p -61.66 -33.74 74.49 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.6 mtp180 -71.05 -52.93 16.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.669 0.271 . . . . 0.0 110.725 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.99 -42.82 99.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.056 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 42' ' ' ILE . 29.5 tp -61.57 -43.69 98.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.702 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.96 -46.95 87.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.473 0.654 . . . . 0.0 109.355 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.365 -1.288 . . . . 0.0 111.56 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.16 -43.94 92.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.818 0.447 . . . . 0.0 111.642 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.2 mt -65.37 -57.02 12.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.017 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.54 -28.76 63.81 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.781 0.832 . . . . 0.0 111.857 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.79 -44.42 93.39 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.686 0.794 . . . . 0.0 109.924 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -77.96 -35.19 50.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.812 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 61.5 mtp -70.29 -32.37 70.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.872 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.3 t30 75.25 58.88 0.06 Allowed 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.084 1.754 . . . . 0.0 109.58 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG23 ' HB2' ' A' ' 46' ' ' MET . 48.4 t -90.54 100.38 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.262 0 CA-C-O 122.652 1.215 . . . . 0.0 110.228 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -122.41 139.41 53.88 Favored 'General case' 0 C--N 1.248 -3.828 0 N-CA-C 103.901 -2.629 . . . . 0.0 103.901 169.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD2' HG22 ' A' ' 52' ' ' VAL . 24.1 t70 -42.88 128.36 4.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 124.771 1.294 . . . . 0.0 111.799 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -115.4 35.78 4.24 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.291 -171.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG22 ' OD2' ' A' ' 50' ' ' ASP . 24.6 m -71.22 10.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -73.02 -25.71 61.05 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 171.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 70.74 169.1 0.31 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.359 1.864 . . . . 0.0 111.831 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.2 mt -128.4 160.98 30.55 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.06 73.51 9.04 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-O 122.262 1.03 . . . . 0.0 111.189 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -66.76 -26.53 67.02 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.171 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -64.48 -23.69 67.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.616 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.274 28.9 m170 -84.77 72.65 10.71 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -109.27 -48.18 3.3 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -101.1 122.93 44.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 168.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 . . . . . 0 C--N 1.291 -1.949 0 CA-C-O 119.194 -0.431 . . . . 0.0 109.899 -176.857 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.25 175.98 10.93 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.252 -176.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -132.21 -1.29 3.63 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.92 -38.09 12.03 Favored Glycine 0 C--O 1.242 0.622 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.345 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 72.6 mt-30 -83.63 -28.32 28.53 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.74 -47.63 85.42 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 172.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -61.41 -35.59 77.95 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.6 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -65.38 -37.84 88.21 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 122.887 0.475 . . . . 0.0 109.777 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 45.2 mmtm -64.52 -47.18 79.84 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.72 -50.98 64.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 O-C-N 124.227 0.954 . . . . 0.0 109.592 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.3 mm-40 -53.87 -62.29 1.75 Allowed 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 123.667 0.604 . . . . 0.0 111.602 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 8.8 t30 -54.45 -43.73 71.89 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 124.106 0.879 . . . . 0.0 111.811 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -65.95 -47.31 75.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.234 0.54 . . . . 0.0 111.14 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.5 ttpt -58.5 -44.18 89.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.608 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 92.1 mttt -65.48 -41.05 93.75 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.055 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.0 mt-10 -55.61 -39.74 71.18 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 173.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 21' ' ' VAL . 14.5 tp -68.59 -47.28 67.13 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.616 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 82.3 mt -54.63 -42.93 63.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 123.563 0.54 . . . . 0.0 109.735 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.3 mt-30 -57.31 -39.17 75.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.987 176.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.504 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 93.5 mt -72.62 -46.83 52.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 17' ' ' LEU . 17.4 t -62.05 -36.56 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 121.575 0.702 . . . . 0.0 109.631 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.18 85.33 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.638 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 10.9 ptm180 -74.57 -6.1 46.64 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.4 t60 -69.91 -37.24 75.9 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.32 44.21 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.939 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.945 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 25.7 mt -99.8 142.87 30.71 Favored 'General case' 0 CA--C 1.479 -1.76 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.256 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.515 ' O ' HG23 ' B' ' 31' ' ' VAL . 2.1 m-20 -69.79 159.58 33.31 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.666 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 34.9 m-70 -64.07 -30.46 71.53 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.349 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.2 -38.84 92.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.633 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 33.4 mmtp -63.31 -48.25 78.84 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.5 t -57.76 -43.47 84.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 123.489 0.716 . . . . 0.0 110.07 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 65.4 mt -61.75 -53.74 51.95 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 122.446 0.299 . . . . 0.0 111.285 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.07 -42.22 98.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.523 0.514 . . . . 0.0 110.888 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 66.1 t80 -63.63 -54.23 39.06 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.117 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 43.1 p -59.47 -41.76 90.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 18.0 ptm180 -69.61 -37.12 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.841 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 4.4 t70 -80.6 -31.02 36.82 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 119.466 -0.894 . . . . 0.0 110.073 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.1 -47.34 83.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.864 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.78 -41.21 90.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.447 0.641 . . . . 0.0 109.447 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 37.2 ttmt -63.05 -46.87 85.48 Favored 'General case' 0 N--CA 1.414 -2.245 0 C-N-CA 124.529 1.132 . . . . 0.0 110.328 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.79 -39.73 81.97 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.414 0.686 . . . . 0.0 110.437 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.693 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.0 mt -67.11 -54.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.527 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -51.42 -36.65 44.7 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.133 0.573 . . . . 0.0 111.859 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.61 -53.02 62.43 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.073 0.949 . . . . 0.0 109.636 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -75.58 -26.78 58.21 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.693 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.1 mtp -71.39 -13.49 61.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 175.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.41 81.05 0.21 Allowed 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 126.273 1.829 . . . . 0.0 110.48 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 18.9 m -91.76 115.59 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.464 1.126 . . . . 0.0 112.575 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -118.86 32.41 6.15 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD2' HG22 ' B' ' 52' ' ' VAL . 26.7 t0 -49.09 122.11 5.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 112.607 -2.088 . . . . 0.0 111.328 -172.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' B' ' 51' ' ' LYS . 49.4 pttt -77.28 12.93 1.3 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.427 HG22 ' OD2' ' B' ' 50' ' ' ASP . 22.7 m -98.54 -8.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 172.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -118.83 102.53 8.87 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.792 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -114.85 19.89 15.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 45.59 -164.2 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 126.49 1.916 . . . . 0.0 113.32 -174.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.0 -25.42 65.39 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 t60 72.41 28.42 2.3 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 110.303 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -84.18 83.15 8.07 Favored 'General case' 0 N--CA 1.427 -1.606 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.702 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -98.47 116.99 31.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -84.26 124.52 31.31 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.267 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -136.92 130.47 31.68 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 . . . . . 0 C--N 1.282 -2.366 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.616 -174.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.86 122.42 12.17 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.418 0.628 . . . . 0.0 110.662 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mmt -83.67 -3.97 58.2 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.258 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.41 -41.24 79.88 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 10.8 pt20 -80.17 -24.95 39.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 0.0 111.332 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.71 -45.4 52.46 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -65.86 -30.48 71.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.011 177.423 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 9.8 t-20 -58.48 -50.31 74.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.359 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.39 -37.78 80.69 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.426 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.52 -51.72 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 58.0 mm-40 -57.01 -52.35 65.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 123.251 0.344 . . . . 0.0 111.138 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -60.31 -44.48 95.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -70.48 -38.51 74.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.925 0.393 . . . . 0.0 110.706 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.9 ttpt -61.15 -43.77 98.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.543 175.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 60.2 mtpt -68.77 -34.71 76.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 48.5 mt-10 -58.43 -42.61 87.67 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -67.18 -43.84 81.18 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 14' ' ' LYS . 90.5 mt -55.53 -40.25 57.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.307 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 77.2 mt-30 -57.54 -43.98 84.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.433 0.458 . . . . 0.0 110.811 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.665 ' HB3' HG12 ' B' ' 10' ' ' ILE . 3.1 mm? -62.3 -52.41 63.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.31 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 1.6 m -65.91 -31.39 53.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.366 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -67.32 -48.35 67.83 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 122.147 -0.346 . . . . 0.0 111.6 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -64.95 -19.12 65.8 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.719 0.295 . . . . 0.0 111.156 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.0 t-80 -55.39 -42.99 74.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.517 0.727 . . . . 0.0 110.584 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -8.19 0.2 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.649 -1.262 . . . . 0.0 113.503 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' B' ' 45' ' ' PHE . 10.9 mp -56.65 141.67 42.74 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -77.61 163.78 25.93 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.7 m80 -60.03 -34.8 73.87 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 t70 -56.76 -44.5 81.85 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.58 1.152 . . . . 0.0 110.327 175.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -68.03 -38.52 82.64 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' ASP . 84.7 t -64.87 -38.93 84.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.866 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 92.8 mt -63.51 -47.33 82.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.006 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 48.2 mt -69.43 -38.34 77.83 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.52 -52.38 53.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -59.5 -39.18 82.96 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -74.46 -38.08 63.06 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 44.5 t0 -69.21 -38.69 78.7 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.987 0.898 . . . . 0.0 109.139 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.9 tp -67.02 -42.04 85.58 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.516 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.09 -41.9 99.5 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.254 0.549 . . . . 0.0 110.102 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 20.4 pttp -70.52 -32.53 70.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.887 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 49.6 tp -67.97 -36.84 80.74 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 46' ' ' MET . 70.9 mt -73.5 -51.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.178 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.33 -31.93 55.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.872 0.469 . . . . 0.0 111.775 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 39.2 ttmt -57.72 -48.77 78.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.119 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' B' ' 26' ' ' LEU . 38.1 m-85 -80.56 -27.99 37.36 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.311 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.661 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 82.5 mtp -68.66 -33.06 73.34 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.895 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 60.33 32.68 20.76 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 121.416 0.627 . . . . 0.0 110.502 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 m -77.05 82.14 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 CA-C-O 123.333 1.54 . . . . 0.0 114.182 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -118.22 9.22 12.5 Favored 'General case' 0 C--N 1.27 -2.884 0 CA-C-N 112.389 -2.187 . . . . 0.0 107.249 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.32 94.94 6.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.595 -1.639 . . . . 0.0 110.803 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -131.63 13.82 4.93 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 m -108.71 35.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.932 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -83.11 70.54 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.24 0.543 . . . . 0.0 110.389 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? 164.41 162.52 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 127.542 2.337 . . . . 0.0 105.171 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -104.81 162.96 12.86 Favored 'General case' 0 C--N 1.281 -2.393 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 56' ' ' GLU . 4.8 tp10 -128.11 81.4 2.02 Favored 'General case' 0 N--CA 1.415 -2.215 0 CA-C-O 122.109 0.957 . . . . 0.0 109.427 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -126.71 -26.03 3.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.517 -1.219 . . . . 0.0 112.367 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.38 -30.52 27.33 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -79.43 94.72 5.6 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -107.05 118.6 37.13 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.928 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -76.2 149.76 37.2 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.409 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 . . . . . 0 C--N 1.296 -1.726 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.907 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.04 105.22 7.98 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 123.575 0.547 . . . . 0.0 109.758 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.9 mtp -62.76 -34.27 76.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.63 96.78 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 14.9 mm100 -69.71 -42.07 74.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.397 -0.402 . . . . 0.0 109.938 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.25 -45.12 84.25 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.887 0.742 . . . . 0.0 109.861 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -62.76 -36.31 82.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.543 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -76.39 -20.39 57.18 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.222 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.6 mmtp -75.24 -35.99 61.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' A' ' 20' ' ' LEU . 82.3 mt -61.06 -48.43 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.856 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 65.9 mm-40 -54.36 -51.39 64.94 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.567 0.542 . . . . 0.0 109.774 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.75 -53.72 53.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.391 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -65.37 -41.07 94.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 31.3 ttpt -58.04 -45.06 87.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -64.83 -39.27 93.3 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.73 -37.68 79.6 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.204 0.526 . . . . 0.0 109.592 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.432 ' O ' HG23 ' B' ' 21' ' ' VAL . 16.1 tp -69.74 -47.3 63.54 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.498 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.4 mt -53.66 -44.11 56.95 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 123.576 0.547 . . . . 0.0 110.001 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.676 0.61 . . . . 0.0 111.531 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 97.5 mt -78.48 -45.81 21.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.4 t -60.96 -35.87 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.65 -51.46 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 17.2 ptm180 -75.32 2.6 10.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 36.6 t-80 -73.6 -29.53 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.29 0.98 0.41 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.056 -1.069 . . . . 0.0 112.317 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -73.06 136.74 45.01 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-O 121.952 0.882 . . . . 0.0 112.429 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.544 ' O ' HG23 ' B' ' 31' ' ' VAL . 20.6 m-20 -79.83 166.02 22.14 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.588 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 82.9 m-70 -64.36 -26.49 68.49 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 118.721 0.691 . . . . 0.0 112.276 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.81 -43.79 92.02 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 18.0 mmtp -61.15 -40.27 93.21 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.88 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 27' ' ' ASP . 57.6 t -62.91 -43.38 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 123.019 0.527 . . . . 0.0 110.155 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.3 mt -62.1 -50.1 73.3 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.902 0.481 . . . . 0.0 110.409 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.13 -40.93 97.58 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -66.78 -52.61 42.1 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.001 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.9 p -59.36 -39.18 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 17.5 ptm180 -70.76 -40.66 72.55 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.99 -37.75 66.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.41 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.84 -46.12 90.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.099 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.68 -39.47 88.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.078 0.466 . . . . 0.0 110.145 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.57 -31.98 65.66 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.462 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.5 tt -62.94 -43.62 98.31 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.8 mt -67.58 -51.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.775 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -56.03 -32.75 64.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -55.6 -38.62 69.66 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 124.334 1.054 . . . . 0.0 109.717 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.584 ' HB3' HD21 ' A' ' 26' ' ' LEU . 36.6 m-85 -94.66 -31.36 13.87 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.1 mtp -69.73 -39.53 76.74 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.255 0.55 . . . . 0.0 109.813 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 67.21 9.37 6.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.272 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' B' ' 46' ' ' MET . 14.4 m -99.56 94.59 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.924 0 CA-C-O 123.044 1.402 . . . . 0.0 110.65 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -113.87 41.65 2.18 Favored 'General case' 0 C--N 1.266 -3.048 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.793 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -78.13 37.53 0.26 Allowed 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.883 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.33 4.93 11.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.059 0.933 . . . . 0.0 109.696 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 m -74.78 -26.78 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.555 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -122.35 -13.22 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 76.86 -179.92 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.963 1.705 . . . . 0.0 109.426 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.35 147.88 29.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -74.59 137.01 42.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -78.63 -32.54 47.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 66.92 35.52 4.76 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.37 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -89.95 78.03 6.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -141.84 140.05 32.85 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.235 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -98.68 9.61 42.94 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 122.133 0.968 . . . . 0.0 109.55 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 79.6 t60 . . . . . 0 C--N 1.306 -1.317 0 CA-C-N 114.003 -1.453 . . . . 0.0 108.722 178.061 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 CA--C 1.494 -1.181 0 CA-C-O 120.987 0.422 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -118.1 136.62 53.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 172.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.95 -0.47 24.45 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.06 -49.08 78.53 Favored Glycine 0 C--N 1.314 -0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.91 -34.79 75.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.089 0.471 . . . . 0.0 111.085 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.87 -44.6 76.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.251 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -30.29 70.07 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.065 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -63.65 -41.64 98.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.1 -46.0 92.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.789 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.4 -53.55 44.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.588 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -56.24 -53.42 57.39 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.553 0.533 . . . . 0.0 110.921 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -56.71 -49.87 73.87 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 123.907 0.754 . . . . 0.0 112.742 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.62 -35.03 76.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.385 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.536 ' HD3' HD12 ' A' ' 42' ' ' ILE . 36.5 ttpt -59.63 -48.56 81.19 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 123.92 0.888 . . . . 0.0 109.173 173.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.04 -41.54 90.73 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.256 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -57.56 -38.17 74.35 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.535 0.522 . . . . 0.0 109.913 173.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -67.65 -47.08 70.56 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.448 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.7 mt -55.12 -42.91 67.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 O-C-N 123.741 0.651 . . . . 0.0 110.184 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -57.71 -42.78 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.653 0.596 . . . . 0.0 110.904 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.79 -48.03 64.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.63 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.7 t -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.08 0.467 . . . . 0.0 110.134 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.83 -52.44 64.14 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.426 0.69 . . . . 0.0 112.528 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.43 -19.15 65.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.12 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.9 t-80 -55.0 -33.93 63.01 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.464 0.706 . . . . 0.0 110.969 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.0 3.93 0.17 Allowed Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 119.215 -1.469 . . . . 0.0 113.197 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.8 mp -69.55 144.62 53.04 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 121.726 0.774 . . . . 0.0 112.059 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -83.4 169.51 15.49 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.022 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.59 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -57.65 -43.78 85.19 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.386 0.429 . . . . 0.0 110.46 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.9 t70 -63.56 -37.88 89.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.757 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.56 -41.78 96.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.631 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.3 t -62.09 -41.7 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.6 mt -62.18 -50.09 73.22 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.597 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 78.1 mt -59.28 -48.88 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.51 0.506 . . . . 0.0 110.313 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.14 -52.41 64.98 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.28 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -60.78 -42.81 98.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.8 ptm180 -72.53 -34.14 67.36 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.539 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 5.0 t70 -78.29 -36.78 46.14 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.804 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.727 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.08 -44.53 87.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.954 0.407 . . . . 0.0 110.339 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 37' ' ' ASP . 54.0 mtmt -64.51 -42.11 96.01 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.709 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 47.4 tp -57.61 -43.19 84.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 123.629 0.581 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.725 ' O ' ' HG3' ' A' ' 46' ' ' MET . 72.4 mt -67.1 -54.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.123 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -56.63 -30.9 63.8 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.8 ttmt -57.92 -49.68 75.93 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.75 1.22 . . . . 0.0 109.92 176.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' B' ' 26' ' ' LEU . 42.5 m-85 -77.44 -26.47 51.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.514 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.725 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 51.3 mtp -73.68 -18.93 60.96 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.1 t30 69.46 20.2 7.29 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 122.954 1.359 . . . . 0.0 108.301 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 50' ' ' ASP . 48.4 t -102.18 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.221 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -112.3 39.01 2.55 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' H ' HG12 ' A' ' 48' ' ' VAL . 3.5 t70 69.81 -178.7 0.22 Allowed 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.677 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -97.56 9.2 43.08 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 121.725 0.774 . . . . 0.0 110.288 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.95 -23.34 12.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.872 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -88.67 105.66 17.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -91.46 103.71 16.3 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.044 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD23 ' H ' ' A' ' 55' ' ' LEU . 1.9 pt? -106.41 103.65 13.15 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.56 -37.55 18.04 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -134.98 144.09 47.21 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -86.48 67.11 9.8 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 119.421 -0.911 . . . . 0.0 109.928 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -89.97 72.03 7.46 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.479 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -109.12 10.01 26.07 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -97.11 135.08 39.59 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 114.191 -1.368 . . . . 0.0 108.23 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 m80 . . . . . 0 C--N 1.289 -2.062 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -178.102 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 CA--C 1.504 -0.826 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -95.98 113.26 24.87 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.7 mmt -59.74 -35.58 74.87 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 123.681 0.613 . . . . 0.0 112.303 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.74 -37.97 95.7 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.726 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 17.5 mm-40 -81.57 -35.87 29.71 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.189 0.519 . . . . 0.0 110.103 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.27 -44.74 95.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.093 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -34.77 79.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.409 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -61.12 -45.05 96.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.241 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 75.3 mmtt -65.27 -38.78 91.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.54 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.27 -49.97 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -56.12 -51.2 68.77 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 123.505 0.503 . . . . 0.0 110.21 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -58.16 -47.22 84.04 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.93 0.769 . . . . 0.0 111.596 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.53 -45.11 76.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.033 0.444 . . . . 0.0 111.306 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.9 ttpt -56.41 -46.16 80.33 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 124.541 1.136 . . . . 0.0 109.364 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.47 -41.01 93.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.231 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.517 ' O ' HD22 ' B' ' 20' ' ' LEU . 35.2 mt-10 -55.06 -45.9 75.34 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 123.654 0.596 . . . . 0.0 110.119 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -63.24 -44.72 94.4 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.29 -179.027 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 64.4 mt -56.67 -38.48 57.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.51 -36.0 77.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.02 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.517 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.1 mm? -74.82 -49.44 20.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.401 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.0 p -66.92 -30.8 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 119.479 -0.888 . . . . 0.0 112.58 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.76 -45.44 92.66 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 122.198 -0.314 . . . . 0.0 111.184 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -74.01 -12.27 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.672 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 22.1 t-80 -58.92 -42.73 90.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.08 0.466 . . . . 0.0 110.148 175.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.95 -16.62 0.06 OUTLIER Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.404 -176.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.8 mp -53.21 134.31 39.13 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 121.553 0.692 . . . . 0.0 112.606 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.558 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.6 t70 -86.12 -177.5 6.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.539 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 12.2 m170 -61.08 -36.41 79.56 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 122.55 0.34 . . . . 0.0 110.602 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -71.24 -39.79 71.44 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.923 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.469 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 31.8 mmtm -62.36 -38.41 89.43 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.258 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.8 t -67.35 -34.93 72.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 89.2 mt -69.7 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -42.77 99.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.134 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 90.1 t80 -63.38 -51.73 64.65 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -60.04 -35.68 75.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -77.92 -35.79 50.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 3.8 t70 -75.01 -32.21 61.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.7 -47.75 68.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.051 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.78 -43.73 90.5 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.274 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 43.9 pttt -64.94 -37.87 89.09 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.494 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.78 -35.6 78.98 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.526 0.679 . . . . 0.0 109.358 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.591 ' O ' ' HG2' ' B' ' 46' ' ' MET . 61.2 mt -73.37 -51.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.91 -35.87 69.52 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.002 0.43 . . . . 0.0 110.932 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.82 -52.81 62.73 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.231 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.472 ' HB3' HD21 ' A' ' 26' ' ' LEU . 55.3 m-85 -75.95 -23.51 55.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.591 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.8 mmm -73.04 -8.57 56.35 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 69.51 21.86 6.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.234 1.414 . . . . 0.0 110.739 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -113.82 108.64 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 CA-C-O 122.627 1.203 . . . . 0.0 110.713 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -144.01 44.11 1.45 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.738 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.79 79.18 0.62 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.935 1.35 . . . . 0.0 110.967 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -113.3 20.65 15.98 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.033 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.5 m -61.68 110.01 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.907 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -97.55 142.56 29.23 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.33 -173.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -87.69 162.52 17.04 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.601 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -108.04 143.91 36.11 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' B' ' 61' ' ' HIS . 0.4 OUTLIER -115.89 120.98 40.99 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 178.123 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -128.62 139.97 52.0 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.446 0.641 . . . . 0.0 111.534 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 63.51 19.22 11.58 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 124.542 1.137 . . . . 0.0 113.892 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 73.22 19.23 3.61 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.118 0.967 . . . . 0.0 111.092 173.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.87 -40.53 0.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.259 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' B' ' 56' ' ' GLU . 18.2 m-70 -80.12 104.4 10.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.565 0.221 . . . . 0.0 111.104 -171.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 C--N 1.3 -1.561 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.819 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 CA--C 1.503 -0.831 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 33.3 mt-10 -56.29 122.68 12.37 Favored 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 123.456 0.473 . . . . 0.0 110.667 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -76.17 -18.3 59.16 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.522 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.76 94.3 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 7.2 pt20 -74.83 -32.89 62.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.8 tm? -61.22 -41.67 97.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.594 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.23 -35.49 81.0 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.61 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.1 mmmt -68.84 -40.15 79.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mt -56.99 -48.15 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 49.7 mm-40 -57.35 -52.6 64.69 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.453 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.56 -40.9 93.3 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.742 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 1.9 tppp? -74.62 -39.62 62.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.1 ttpt -56.32 -47.98 77.64 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.23 1.012 . . . . 0.0 109.194 173.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.0 mttm -58.28 -39.37 79.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.814 0.846 . . . . 0.0 112.674 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 59.8 mm-40 -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.717 0.77 . . . . 0.0 109.594 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -66.44 -43.27 86.1 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.537 -1.21 . . . . 0.0 111.179 -177.566 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.2 mt -55.82 -41.95 68.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.01 -33.36 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.355 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.4 mp -69.22 -52.27 29.48 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.748 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.4 t -60.04 -40.92 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 121.086 0.47 . . . . 0.0 109.926 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.61 -51.39 69.71 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 123.613 0.765 . . . . 0.0 112.293 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.2 -18.64 64.63 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.709 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 6' ' ' LEU . 85.7 t60 -60.37 -37.76 81.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.426 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.15 6.36 0.09 OUTLIER Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 118.928 -1.606 . . . . 0.0 113.691 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.3 mp -66.64 146.45 54.47 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-O 121.621 0.724 . . . . 0.0 112.034 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 m-20 -77.39 167.68 21.27 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.523 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.31 -39.17 92.15 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.9 m-20 -63.06 -41.31 99.43 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.788 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 42.2 mmtm -59.91 -44.39 94.32 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.491 0.495 . . . . 0.0 110.569 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.4 t -59.27 -43.31 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 123.546 0.529 . . . . 0.0 110.132 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.9 mt -63.25 -48.01 80.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.593 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 70.4 mt -65.98 -44.64 84.28 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.613 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.98 -51.23 70.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.964 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 p -60.95 -41.38 96.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.24 -34.84 63.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.384 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.89 -40.67 72.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.5 tp -58.33 -47.23 84.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.951 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.67 -45.46 94.08 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.429 0.456 . . . . 0.0 110.212 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.21 -36.46 83.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.088 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.28 -39.72 95.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.695 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.0 mt -65.5 -54.18 31.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -52.16 -38.4 57.54 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.851 0.86 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -57.74 -49.6 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.342 1.057 . . . . 0.0 110.448 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -75.29 -33.1 61.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.695 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.2 mtp -65.57 -26.37 67.83 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 58.35 74.34 0.44 Allowed 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 125.267 1.427 . . . . 0.0 108.779 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -103.06 132.89 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.086 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -112.99 86.11 2.31 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' OD1' HG22 ' A' ' 52' ' ' VAL . 4.3 t70 -126.95 154.09 44.99 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.131 -0.941 . . . . 0.0 112.733 -172.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.74 -35.5 56.14 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 127.589 2.355 . . . . 0.0 116.227 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG22 ' OD1' ' A' ' 50' ' ' ASP . 34.7 m -106.07 -12.78 9.74 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.188 0 CA-C-O 121.035 0.445 . . . . 0.0 112.023 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -87.24 -16.71 34.45 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.329 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -136.79 149.08 47.57 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.143 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.94 123.9 14.36 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.588 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -107.8 -1.75 20.59 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.354 0.597 . . . . 0.0 110.19 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.05 147.24 38.85 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.498 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -82.91 -28.89 29.61 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.142 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 68.4 -46.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.643 1.577 . . . . 0.0 113.608 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -79.19 94.86 5.48 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -89.2 -23.43 22.39 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.519 0.676 . . . . 0.0 109.888 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 N--CA 1.422 -1.857 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.569 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.0 tpp . . . . . 0 CA--C 1.509 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -127.99 136.67 51.62 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 64.2 mtt -123.91 -44.83 2.04 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.417 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 -43.13 78.13 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -68.88 -21.85 64.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.779 0.799 . . . . 0.0 109.321 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.6 tm? -80.16 -51.96 8.35 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.043 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.42 82.87 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.549 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.77 -44.54 96.63 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.395 0.434 . . . . 0.0 110.228 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -62.56 -49.78 73.92 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 123.331 0.394 . . . . 0.0 111.036 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 20' ' ' LEU . 60.2 mt -50.25 -54.38 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 0.0 111.033 175.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 54.9 mm-40 -58.78 -55.29 36.98 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 123.331 0.395 . . . . 0.0 111.036 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -58.21 -47.5 83.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.36 -37.96 80.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.1 ttpt -59.75 -48.09 83.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.106 0.963 . . . . 0.0 109.054 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.3 mtpm? -62.78 -40.62 97.88 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.435 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.89 -41.22 82.13 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 110.325 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -45.16 69.98 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 14' ' ' LYS . 93.6 mt -55.03 -42.56 65.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 123.32 0.388 . . . . 0.0 110.052 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.03 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 84.8 mt -71.16 -49.37 44.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.581 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.18 -40.02 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 121.283 0.564 . . . . 0.0 109.896 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.03 79.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.546 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 16.5 ptm180 -76.31 1.27 16.6 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.42 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.8 t60 -74.33 -29.28 61.53 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.99 42.34 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.872 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.2 mt -96.89 149.05 22.31 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.621 0.724 . . . . 0.0 111.676 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.476 ' O ' HG23 ' B' ' 31' ' ' VAL . 24.7 t70 -81.93 167.64 18.73 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.565 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 32.1 t60 -58.49 -33.92 70.33 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.846 0.294 . . . . 0.0 110.342 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -36.42 77.6 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.5 mmtm -67.37 -43.52 81.22 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.025 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -60.98 -42.85 94.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 O-C-N 123.647 0.592 . . . . 0.0 109.646 177.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 54.6 mt -65.74 -47.25 75.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.682 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.59 -43.01 91.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.189 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -64.59 -49.9 69.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -58.51 -39.15 79.3 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 13.3 ptm180 -77.0 -41.25 43.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.189 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 0.5 OUTLIER -73.56 -28.86 62.09 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.47 -41.44 93.36 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.35 -46.71 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 94.3 mttt -55.33 -49.3 72.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.127 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.69 -42.72 89.21 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.999 0.519 . . . . 0.0 111.358 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.615 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.2 mt -66.23 -53.8 33.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -51.4 -38.3 52.75 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.118 0.967 . . . . 0.0 111.34 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.06 -43.87 87.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.094 0.958 . . . . 0.0 110.394 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -86.15 -24.22 26.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.772 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 63.3 mtp -79.11 -6.57 56.78 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.522 0.677 . . . . 0.0 109.324 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 63.4 64.66 0.8 Allowed 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 125.72 1.608 . . . . 0.0 111.783 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.02 142.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -101.56 31.23 3.87 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-O 122.197 0.999 . . . . 0.0 109.31 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 67.64 160.13 0.16 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 127.066 2.146 . . . . 0.0 112.839 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.29 15.29 2.5 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.824 0.85 . . . . 0.0 112.446 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.7 m -105.6 129.81 57.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.673 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -79.52 140.29 37.3 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.55 ' HD2' ' N ' ' B' ' 54' ' ' LYS . 2.1 mptp? -78.0 132.42 37.81 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.241 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.13 127.68 33.55 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -171.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 45.79 105.94 0.0 OUTLIER 'General case' 0 C--O 1.242 0.704 0 C-N-CA 127.449 2.3 . . . . 0.0 115.78 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -172.2 -50.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -76.99 133.24 39.22 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.854 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -95.85 -58.35 2.12 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.348 0.594 . . . . 0.0 111.009 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -113.83 16.49 18.42 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 122.132 0.968 . . . . 0.0 110.942 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -121.49 125.08 45.99 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.463 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? . . . . . 0 CA--C 1.517 -0.325 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 2.0 mp0 53.68 95.19 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.16 1.384 . . . . 0.0 113.696 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -86.65 -15.88 38.31 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.189 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.37 -44.15 98.05 Favored Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 28.4 pt20 -63.83 -34.47 78.0 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 110.69 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.0 tm? -69.09 -46.76 66.97 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -34.19 77.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.776 178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.45 -48.46 81.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.72 0.808 . . . . 0.0 109.086 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.85 -38.62 91.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.092 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -58.52 -52.04 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -56.55 -45.04 81.42 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.713 0.633 . . . . 0.0 110.477 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.76 -53.49 57.2 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.946 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -71.39 -35.76 71.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.6 ttpt -57.75 -49.44 76.56 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.139 0.976 . . . . 0.0 109.37 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 7.7 mtpm? -67.33 -36.71 82.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.993 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.25 -41.3 83.92 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-O 121.601 0.715 . . . . 0.0 110.161 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 tp -69.16 -45.18 70.68 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.034 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.6 mt -55.18 -40.88 57.57 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 O-C-N 123.538 0.524 . . . . 0.0 109.758 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.0 mt-30 -55.91 -46.06 78.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.658 0.599 . . . . 0.0 110.539 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -68.54 -46.15 70.29 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.34 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 22.8 t -64.53 -33.22 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.228 0.537 . . . . 0.0 110.337 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -52.88 34.23 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.5 ptm180 -66.82 -18.94 65.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.516 0.51 . . . . 0.0 112.039 -178.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 66.1 t60 -50.67 -45.76 58.23 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.17 41.17 0.03 OUTLIER Glycine 0 N--CA 1.42 -2.415 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.23 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 19.7 mt -91.0 158.35 16.75 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 121.484 0.659 . . . . 0.0 111.501 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.6 m-20 -83.36 168.03 17.0 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.596 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.3 t-80 -61.64 -41.94 98.2 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.7 p30 -62.03 -37.91 86.69 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.486 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.4 mmtm -62.56 -46.73 87.0 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.622 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.6 t -58.98 -40.41 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 53.9 mt -64.83 -51.75 60.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.7 mt -63.24 -42.28 99.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.599 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD1' HD22 ' B' ' 41' ' ' LEU . 75.2 t80 -61.45 -54.76 39.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.21 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 p -62.25 -35.97 80.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -74.57 -37.77 62.87 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.527 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.0 -39.21 79.46 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.58 -43.91 92.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.191 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.43 -44.74 96.6 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.49 -35.79 81.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.31 -42.28 99.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 109.812 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -49.47 76.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.29 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -56.39 -36.39 68.83 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.553 0.216 . . . . 0.0 111.221 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -58.02 -49.71 75.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 110.69 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -81.31 -28.94 34.37 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -70.63 -30.67 67.37 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 56.63 77.04 0.27 Allowed 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 124.818 1.324 . . . . 0.0 110.589 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.41 92.13 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.275 0 CA-C-O 122.294 1.045 . . . . 0.0 109.502 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -142.58 109.9 5.66 Favored 'General case' 0 C--N 1.261 -3.274 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.47 87.91 0.65 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.519 0.676 . . . . 0.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -98.84 12.74 34.82 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.582 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.65 134.75 57.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.287 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -135.89 87.5 2.32 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt 67.3 -168.01 0.2 Allowed 'General case' 0 C--O 1.241 0.64 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.239 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 mt 57.08 86.68 0.07 Allowed 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.592 1.157 . . . . 0.0 113.202 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -111.69 104.61 12.97 Favored 'General case' 0 C--N 1.271 -2.841 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.595 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -118.69 80.15 1.49 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.712 0.768 . . . . 0.0 111.677 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -167.03 105.07 0.56 Allowed 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -126.46 -166.6 1.6 Allowed 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.389 -173.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -81.48 -34.1 31.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -85.87 91.28 8.3 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-O 121.638 0.732 . . . . 0.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 . . . . . 0 C--N 1.294 -1.832 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 174.003 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -80.43 158.73 25.86 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.566 179.251 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 68.7 mtm -88.7 1.4 55.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.53 -44.1 34.4 Favored Glycine 0 C--N 1.308 -0.993 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 4.4 pt20 -66.36 -34.17 77.36 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.813 -0.693 . . . . 0.0 109.935 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.93 -44.12 77.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.025 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.478 ' HG2' ' HE1' ' B' ' 46' ' ' MET . 0.0 OUTLIER -64.13 -36.09 82.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.318 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.1 -39.88 87.68 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.437 0.46 . . . . 0.0 109.826 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -72.4 -34.32 67.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.01 -49.84 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.35 -50.14 70.41 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.769 0.668 . . . . 0.0 110.392 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -53.77 -49.69 67.69 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.615 1.197 . . . . 0.0 111.513 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.73 -40.77 47.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.379 -174.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 33.4 ttpt -58.04 -48.92 78.63 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 124.304 1.041 . . . . 0.0 109.596 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' B' ' 18' ' ' ILE . 33.9 mttp -62.01 -39.59 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.45 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.08 -41.07 82.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.552 0.691 . . . . 0.0 111.057 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -68.67 -43.38 76.3 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.794 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 14' ' ' LYS . 97.4 mt -55.32 -41.31 61.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 123.564 0.54 . . . . 0.0 109.631 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -58.11 -38.54 76.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.456 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.46 -49.39 41.88 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.564 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.57 -37.27 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 121.379 0.609 . . . . 0.0 110.285 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.55 -52.44 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.684 0.794 . . . . 0.0 112.492 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.18 -19.08 65.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.806 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB2' HD11 ' A' ' 6' ' ' LEU . 86.6 t60 -62.54 -37.1 84.8 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.77 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.61 -16.9 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.338 0 C-N-CA 119.457 -1.354 . . . . 0.0 112.433 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.26 132.04 42.81 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.563 ' O ' HG23 ' B' ' 31' ' ' VAL . 12.4 m-20 -71.8 168.13 18.49 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.436 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 24.6 t60 -62.14 -37.17 84.18 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.601 . . . . 0.0 109.537 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.293 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 35.1 mmtm -60.53 -42.24 96.09 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.087 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.5 t -64.71 -43.25 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.768 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.8 mt -62.51 -43.09 99.67 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.28 -44.42 68.43 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.314 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -64.38 -45.73 86.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.135 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.2 p -59.91 -46.19 90.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 11.1 ptm180 -72.17 -33.4 67.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.55 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.693 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 7.2 t70 -75.21 -37.33 61.17 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.665 0.745 . . . . 0.0 109.136 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.93 -42.58 89.9 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.423 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.96 -39.22 88.7 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.093 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.693 ' HG3' ' O ' ' B' ' 37' ' ' ASP . 1.7 pptp? -70.4 -31.73 69.07 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 120.863 0.363 . . . . 0.0 111.861 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.62 -42.93 95.19 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.487 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.9 mt -69.6 -56.48 11.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.912 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -51.54 -35.53 41.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.984 0.513 . . . . 0.0 111.742 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 -52.59 64.86 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -75.84 -30.97 59.13 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 85.6 mtp -65.42 -22.14 66.74 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.34 0.256 . . . . 0.0 111.034 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 75.02 5.22 4.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.55 1.167 . . . . 0.0 110.84 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' B' ' 46' ' ' MET . 30.3 m -84.17 144.26 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.114 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.426 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.02 36.97 3.44 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.94 78.78 1.17 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.749 1.262 . . . . 0.0 112.119 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' B' ' 51' ' ' LYS . 16.1 ptpt -87.34 16.89 4.83 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.229 177.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 m -85.98 -14.81 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.548 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.78 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -75.69 97.47 3.83 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -140.56 160.15 40.63 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -83.58 86.37 7.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 122.096 0.95 . . . . 0.0 108.522 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.68 122.88 44.72 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.019 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -79.0 87.47 4.81 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.571 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -91.84 -0.82 57.54 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.976 -176.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -134.94 165.01 26.31 Favored 'General case' 0 N--CA 1.425 -1.702 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -68.37 -24.38 64.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.016 0.436 . . . . 0.0 111.839 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -153.62 146.29 24.22 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.302 -1.471 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.977 -177.5 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 CA--C 1.498 -1.037 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 116.4 26.02 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 ptp -65.96 -28.04 68.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.42 -49.91 35.46 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.53 -28.93 70.28 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.147 0.579 . . . . 0.0 111.601 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.05 -46.41 67.93 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -27.94 66.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.69 -45.5 93.73 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.111 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -64.26 -37.46 87.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.48 -48.73 86.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.682 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -55.68 -51.08 68.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 123.554 0.534 . . . . 0.0 110.627 176.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.85 -49.52 73.08 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 124.39 1.056 . . . . 0.0 110.374 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -68.53 -43.81 75.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.008 -175.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 ttpt -55.06 -48.11 73.94 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 124.363 1.065 . . . . 0.0 108.703 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 18' ' ' ILE . 76.8 mttt -63.7 -41.15 98.16 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.408 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.26 -43.8 88.07 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.636 0.585 . . . . 0.0 109.726 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.05 -45.01 90.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.213 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LYS . 62.8 mt -58.78 -42.82 86.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -58.81 -38.22 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 110.302 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.3 mt -69.53 -49.24 56.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.898 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.8 m -66.47 -32.04 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.795 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.56 68.94 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 112.084 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -65.38 -19.04 65.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HB2' HD11 ' B' ' 6' ' ' LEU . 86.4 t60 -61.63 -29.34 69.99 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.512 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.09 2.41 0.23 Allowed Glycine 0 C--O 1.223 -0.584 0 C-N-CA 118.738 -1.696 . . . . 0.0 114.434 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -69.53 151.39 46.07 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.0 t70 -85.2 159.35 20.13 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 172.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.606 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 30.1 m80 -58.41 -27.82 64.65 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.2 t70 -60.93 -42.84 98.91 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.793 0.806 . . . . 0.0 109.499 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -72.06 -34.62 68.89 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.756 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 27' ' ' ASP . 49.1 t -66.77 -41.06 87.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 64.4 mt -64.11 -53.85 43.18 Favored 'General case' 0 C--O 1.205 -1.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.269 177.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.2 mt -59.81 -42.79 94.26 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.48 -52.03 66.19 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.504 ' HB3' HD13 ' A' ' 18' ' ' ILE . 30.7 p -59.53 -37.03 77.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 40.0 mtp85 -72.02 -43.37 65.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.8 t70 -75.84 -28.51 58.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.417 0.627 . . . . 0.0 110.044 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.48 -44.01 83.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.578 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 46.2 mtpt -54.7 -47.41 73.73 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.504 0.721 . . . . 0.0 111.528 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' B' ' 34' ' ' PHE . 2.2 tt -59.58 -48.0 83.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.411 HD12 ' HD3' ' A' ' 14' ' ' LYS . 67.2 mt -60.98 -54.03 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.557 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -53.62 -36.1 61.66 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.797 0.439 . . . . 0.0 111.397 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.43 -49.96 74.76 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.588 0.755 . . . . 0.0 111.297 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -77.92 -37.07 48.61 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.234 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' B' ' 21' ' ' VAL . 97.8 mmm -67.7 -25.17 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.196 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.0 t30 70.87 8.81 6.66 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.564 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 46' ' ' MET . 27.7 m -74.82 104.45 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 122.939 1.352 . . . . 0.0 111.566 -176.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -103.86 83.66 2.15 Favored 'General case' 0 C--N 1.258 -3.401 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -79.95 176.32 9.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.51 -171.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.24 11.09 26.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.614 0.721 . . . . 0.0 112.247 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.0 m -87.77 163.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.055 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -93.46 -176.5 4.12 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 -175.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 2.9 mmmp? -91.76 158.93 16.08 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 120.78 0.324 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -84.11 -176.85 6.46 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 42.4 mt-10 77.52 103.11 0.07 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.264 1.026 . . . . 0.0 110.666 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -80.55 99.2 7.95 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.315 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -146.05 152.8 39.92 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -113.84 -30.39 6.76 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 m80 73.21 131.3 0.04 OUTLIER 'General case' 0 C--O 1.245 0.817 0 C-N-CA 125.105 1.362 . . . . 0.0 110.461 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -82.87 4.22 26.46 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 122.04 0.924 . . . . 0.0 109.396 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 N--CA 1.433 -1.311 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.067 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 CA--C 1.502 -0.883 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.45 106.05 14.88 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptp -134.11 8.37 3.74 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.426 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.0 -36.43 11.22 Favored Glycine 0 N--CA 1.43 -1.763 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.046 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 8.2 mm100 -83.25 -25.62 31.48 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? -63.36 -47.11 83.47 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 172.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.42 73.87 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.065 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.526 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 24.5 t-20 -58.43 -48.66 79.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.256 175.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 29.3 mtpp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.66 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.19 -50.91 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 123.633 0.583 . . . . 0.0 110.512 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -57.71 -54.41 47.23 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.226 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.53 -41.79 77.36 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.691 0.62 . . . . 0.0 112.452 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.08 -47.41 62.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' B' ' 42' ' ' ILE . 28.1 ttpt -57.56 -43.9 84.84 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 123.706 0.803 . . . . 0.0 109.229 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.92 -39.27 93.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.724 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 42.0 mt-10 -55.22 -41.85 72.58 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.4 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.82 -45.89 66.85 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.866 -179.521 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.49 -40.29 81.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.57 -27.21 68.27 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.923 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 87.0 mt -74.05 -51.54 15.49 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.33 0.252 . . . . 0.0 111.204 176.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.5 m -63.03 -27.38 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.47 0.653 . . . . 0.0 110.805 176.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.29 -49.84 62.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.36 -7.54 32.15 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 19.3 t-80 -62.37 -46.89 86.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.7 42.55 0.05 OUTLIER Glycine 0 N--CA 1.422 -2.261 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.581 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.66 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 42.6 mt -85.48 132.65 34.17 Favored 'General case' 0 CA--C 1.489 -1.384 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.338 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.79 46.05 0.64 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 66.12 -53.63 0.4 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 126.153 1.781 . . . . 0.0 113.59 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.09 -38.62 83.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.66 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 46.2 mmtm -61.28 -42.24 98.3 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.823 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.8 -42.81 93.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.01 -46.99 79.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.487 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.44 -39.15 81.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.828 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.572 ' CD1' HD22 ' A' ' 41' ' ' LEU . 85.7 t80 -63.68 -52.97 58.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.662 0.601 . . . . 0.0 111.295 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -57.86 -42.73 85.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.401 0.438 . . . . 0.0 111.971 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.78 -28.78 60.88 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 11.8 t70 -81.83 -32.17 31.33 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.928 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.85 -38.52 91.41 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.9 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -45.63 93.38 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.068 174.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 48.0 mtpt -55.78 -49.51 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.609 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 56.5 tp -60.55 -43.11 97.57 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.696 0.623 . . . . 0.0 111.133 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.578 HD12 ' HD3' ' B' ' 14' ' ' LYS . 71.4 mt -64.76 -53.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.008 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.713 0.405 . . . . 0.0 110.615 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 39.5 ttmt -52.61 -39.75 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.774 1.23 . . . . 0.0 110.611 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 26' ' ' LEU . 26.4 m-85 -94.52 -12.53 27.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.1 mtp -87.91 8.99 23.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 0.0 109.837 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 55.8 t30 76.49 68.3 0.06 Allowed 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.591 1.556 . . . . 0.0 113.127 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.55 139.08 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -111.88 90.1 3.25 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 121.488 0.661 . . . . 0.0 110.294 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -92.07 162.35 14.4 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -7.13 56.56 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.637 0.732 . . . . 0.0 111.691 -174.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.89 -12.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.528 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -90.15 -17.08 28.28 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 51.34 76.64 0.16 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.482 -1.236 . . . . 0.0 110.829 -171.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.63 141.54 58.74 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.844 -174.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -104.72 99.51 9.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -136.18 -75.54 0.43 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.278 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 m80 67.23 -172.6 0.19 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.873 0.869 . . . . 0.0 109.225 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -90.21 -39.84 12.56 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . 0.328 14.1 p80 56.48 -25.67 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 127.635 2.374 . . . . 0.0 116.717 175.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -86.22 118.34 25.61 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.292 -1.924 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.595 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 C--O 1.248 1.009 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.62 118.87 5.14 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -177.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 ptp -64.01 -28.9 70.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 -48.28 63.25 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.6 mt-30 -59.0 -46.75 87.4 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -58.18 -49.1 78.23 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.985 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -63.95 -37.75 88.55 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.53 -38.59 91.55 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 66.9 mttm -62.4 -49.37 75.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -57.39 -49.65 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.228 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.07 -52.82 61.99 Favored 'General case' 0 CA--C 1.503 -0.831 0 O-C-N 123.494 0.496 . . . . 0.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 123.865 0.728 . . . . 0.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -66.41 -46.64 75.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.957 0.408 . . . . 0.0 111.337 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.5 ttpt -57.77 -48.87 78.42 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.446 1.098 . . . . 0.0 109.177 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -63.08 -37.77 88.52 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.841 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.9 mt-10 -57.32 -45.15 84.54 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.349 0.595 . . . . 0.0 109.671 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.67 -43.02 81.2 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.713 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 76.4 mt -58.92 -42.43 85.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -61.13 -33.62 73.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.527 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 93.2 mt -73.15 -48.37 36.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.566 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.1 m -64.78 -31.9 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.029 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.82 -52.03 65.84 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.02 0.528 . . . . 0.0 111.272 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -63.54 -19.03 64.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.959 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.514 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 64.9 t60 -57.1 -40.51 77.15 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.519 175.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.67 -3.92 0.21 Allowed Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 119.338 -1.411 . . . . 0.0 113.873 -177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -58.22 146.49 33.65 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.1 m-20 -77.67 164.21 25.5 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.557 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 44.7 t-80 -57.24 -39.78 76.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -57.1 -43.86 82.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.14 1.376 . . . . 0.0 110.758 176.198 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -66.76 -40.45 88.27 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.544 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.5 t -63.63 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 90.7 mt -62.46 -47.62 83.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 77.8 mt -67.42 -44.6 78.39 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -62.26 -50.28 72.33 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -58.67 -42.68 89.03 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -74.3 -39.05 63.15 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.916 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.27 -36.73 77.41 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 42' ' ' ILE . 20.5 tp -62.75 -49.75 73.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.253 175.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.09 -47.46 77.97 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 121.016 0.436 . . . . 0.0 110.165 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.2 -35.57 81.22 Favored 'General case' 0 N--CA 1.409 -2.483 0 C-N-CA 124.929 1.291 . . . . 0.0 112.267 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.19 -39.61 89.81 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.3 mt -67.42 -53.63 30.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.149 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -51.78 -35.55 44.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.365 1.066 . . . . 0.0 111.677 177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -64.08 -46.23 85.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.837 0.351 . . . . 0.0 110.706 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -76.66 -32.36 57.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.965 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 67.8 mtp -72.58 -32.92 66.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 69.15 0.28 2.76 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 126.254 1.822 . . . . 0.0 113.375 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.6 m -86.3 80.95 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-O 123.474 1.606 . . . . 0.0 112.36 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -96.03 -11.86 25.8 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-N 112.491 -2.141 . . . . 0.0 106.273 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 176.16 174.99 0.31 Allowed 'General case' 0 N--CA 1.418 -2.047 0 C-N-CA 129.406 3.083 . . . . 0.0 103.12 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 51' ' ' LYS . 15.7 pttm -74.48 42.79 0.17 Allowed 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 125.817 1.647 . . . . 0.0 109.254 173.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 m -38.71 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 127.375 2.27 . . . . 0.0 115.819 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -130.88 -8.61 3.95 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.609 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.83 -172.19 3.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.14 144.97 54.78 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.895 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.66 -57.59 0.52 Allowed 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.03 -35.2 57.14 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.197 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -89.27 138.69 31.21 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -94.27 150.51 20.23 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -74.67 -26.63 59.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.351 0.596 . . . . 0.0 109.768 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -84.73 115.04 22.48 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.825 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 . . . . . 0 C--N 1.306 -1.32 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.61 177.904 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 C--O 1.243 0.743 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 60.79 -149.99 0.42 Allowed 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 109.459 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt 77.46 -18.96 0.46 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.987 1.315 . . . . 0.0 112.672 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.84 80.65 Favored Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -33.98 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.59 -45.61 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.954 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.0 mmmt -61.49 -36.57 80.85 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.315 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -57.58 -44.58 85.45 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 123.691 0.619 . . . . 0.0 110.415 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -60.54 -47.07 87.81 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.2 -50.88 76.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.25 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 29.2 mm-40 -54.3 -50.78 66.53 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 123.76 0.662 . . . . 0.0 110.375 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.94 -49.05 79.32 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.296 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -38.19 80.87 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.143 0.497 . . . . 0.0 110.52 -176.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.491 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.18 -48.71 80.6 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 124.882 1.273 . . . . 0.0 109.339 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 29.7 mtpp -65.62 -30.85 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.918 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 48.4 mt-10 -64.43 -42.63 95.92 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.411 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -68.47 -45.68 71.77 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.492 -179.407 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 14' ' ' LYS . 96.1 mt -53.8 -44.04 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 123.533 0.521 . . . . 0.0 110.163 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.99 -23.66 60.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.746 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 86.8 mt -73.13 -48.55 34.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.4 t -59.83 -35.97 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.507 0.67 . . . . 0.0 109.918 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.44 -51.99 65.31 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.474 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.76 -5.24 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.067 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 70.1 t60 -64.86 -37.47 87.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.78 33.1 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.864 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 29.3 mt -91.37 150.68 21.17 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 121.557 0.694 . . . . 0.0 111.706 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.527 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 m-20 -77.49 161.54 27.85 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.636 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 63.9 m-70 -61.78 -29.45 70.15 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.932 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.484 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 9.1 m-20 -65.27 -42.85 92.8 Favored 'General case' 0 CA--C 1.506 -0.745 0 O-C-N 123.349 0.405 . . . . 0.0 110.485 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -58.08 -46.74 84.96 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.713 0.633 . . . . 0.0 109.597 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 27' ' ' ASP . 46.5 t -58.32 -44.31 88.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 123.752 0.821 . . . . 0.0 110.168 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 95.5 mt -61.35 -50.17 74.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 69.8 mt -63.67 -42.02 98.12 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.308 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -64.88 -52.88 54.17 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.001 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 11.9 ptm180 -77.69 -36.67 50.93 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.504 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.71 -40.5 76.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.5 -44.27 96.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.541 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.67 -41.7 91.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.702 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 26.7 mtpp -67.82 -46.96 70.39 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.99 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.4 tp -55.77 -42.14 75.05 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 122.743 0.417 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.724 ' O ' ' HG3' ' B' ' 46' ' ' MET . 60.9 mt -65.05 -60.01 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.403 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.74 -32.66 67.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.651 0.38 . . . . 0.0 111.667 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -58.57 -51.63 69.06 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.764 1.225 . . . . 0.0 109.755 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.0 m-85 -74.39 -32.45 62.73 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.724 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.7 mtp -65.45 -28.9 69.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 63.94 47.73 3.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 122.744 1.259 . . . . 0.0 107.72 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 m -80.3 102.36 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-O 122.957 1.361 . . . . 0.0 112.034 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -114.08 24.77 11.71 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 113.214 -1.812 . . . . 0.0 106.431 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.462 ' OD1' HG22 ' B' ' 52' ' ' VAL . 8.4 t70 -84.98 145.1 27.9 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.551 -2.113 . . . . 0.0 108.57 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -113.66 15.44 18.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.462 HG22 ' OD1' ' B' ' 50' ' ' ASP . 18.7 m -111.85 162.67 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.853 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -164.94 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.78 147.91 39.13 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -118.0 85.54 2.36 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.781 2.032 . . . . 0.0 116.129 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -96.66 -178.81 4.38 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 122.872 0.469 . . . . 0.0 110.049 -174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -74.25 -27.53 60.8 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -89.47 158.95 17.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -119.7 163.85 16.8 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 121.551 -0.718 . . . . 0.0 111.964 -176.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 54.1 m80 70.39 -62.83 0.42 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.36 1.464 . . . . 0.0 110.539 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 . . . . . 0 C--N 1.313 -1.019 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 177.289 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.74 148.4 51.97 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.7 mtm -66.67 -24.11 66.23 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.02 -37.98 88.13 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -69.85 -37.16 76.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.824 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 8.2 mmmt -61.89 -37.6 85.19 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.396 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -63.06 -38.45 91.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.892 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -65.08 -39.99 94.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.111 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -49.26 84.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.976 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 16.6 mm-40 -60.28 -43.63 96.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.72 -53.76 54.6 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.975 0.91 . . . . 0.0 110.732 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.92 -40.06 83.44 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.676 0.79 . . . . 0.0 111.115 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.1 ttpt -56.92 -47.75 79.86 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 124.089 0.956 . . . . 0.0 108.788 175.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.25 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.64 -45.25 85.72 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.563 0.697 . . . . 0.0 109.358 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -45.77 73.38 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.313 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.6 mt -55.44 -40.55 58.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 123.506 0.504 . . . . 0.0 110.026 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 54.3 mt-30 -64.38 -39.3 93.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.57 -47.84 74.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 26' ' ' LEU . 76.9 t -58.49 -44.72 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.646 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -58.22 -49.5 76.84 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 123.648 0.779 . . . . 0.0 111.933 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 15.6 ptm180 -67.29 -17.93 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 49.6 t-80 -59.75 -31.16 69.39 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 120.567 0.222 . . . . 0.0 110.625 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.08 -12.16 0.51 Allowed Glycine 0 C--O 1.239 0.441 0 C-N-CA 119.771 -1.204 . . . . 0.0 113.753 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -52.71 149.26 6.3 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -88.24 179.75 6.3 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.494 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.488 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 80.2 m-70 -67.01 -46.0 75.83 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.438 -176.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.38 -37.42 83.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.233 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.42 -43.44 98.86 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.737 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.4 t -65.48 -38.84 83.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.1 mt -62.92 -48.92 76.83 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.263 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.36 -49.04 77.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 79.3 t80 -57.35 -52.41 65.46 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.454 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.4 p -61.28 -43.0 99.59 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -74.47 -34.16 63.06 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 28.5 t70 -69.65 -35.68 75.4 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-O 122.147 0.975 . . . . 0.0 108.621 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.08 -46.04 45.46 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.069 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.84 -40.44 80.11 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.993 0.425 . . . . 0.0 110.669 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 16.8 pttm -67.47 -36.73 81.72 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.141 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 tp -68.64 -35.55 77.44 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.946 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' ' HG3' ' A' ' 46' ' ' MET . 64.0 mt -70.79 -57.36 7.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.525 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -58.03 -32.02 67.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.179 0.592 . . . . 0.0 111.524 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.19 -50.02 75.32 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.247 0.619 . . . . 0.0 110.53 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.24 -33.47 59.18 Favored 'General case' 0 CA--C 1.487 -1.472 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.694 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.2 mtp -64.55 -28.45 69.65 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t30 69.38 22.16 6.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 122.892 1.329 . . . . 0.0 110.395 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -122.16 160.06 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -123.71 16.4 9.49 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 121.699 0.762 . . . . 0.0 109.199 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.06 78.42 3.6 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.994 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -101.48 -7.13 23.12 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 122.742 1.258 . . . . 0.0 108.35 175.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.55 69.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.891 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -123.06 147.99 46.09 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.379 -1.282 . . . . 0.0 107.693 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.263 17.2 ttmm 59.83 74.65 0.44 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.802 1.287 . . . . 0.0 113.274 -175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -100.69 114.99 29.18 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 171.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.83 134.7 37.94 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -84.57 78.65 9.8 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -81.89 89.04 6.33 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.45 -1.25 . . . . 0.0 112.728 -172.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.82 -177.61 3.36 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -78.17 92.31 4.42 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.613 -0.835 . . . . 0.0 113.169 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -96.15 -23.67 16.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 170.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.8 m80 . . . . . 0 N--CA 1.431 -1.388 0 CA-C-N 112.908 -1.951 . . . . 0.0 105.893 172.095 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm . . . . . 0 C--O 1.243 0.718 0 CA-C-O 122.447 1.117 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.69 128.83 42.9 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.02 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt -74.37 -23.06 58.94 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.793 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.52 94.14 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 2.5 mp0 -75.36 -28.27 59.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.895 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.61 -47.89 79.56 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -66.73 -29.3 69.24 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.036 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.07 -33.69 72.24 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.08 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 60.0 mttp -69.29 -35.53 76.1 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 174.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.37 -48.7 87.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.558 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 15.2 mm-40 -57.09 -48.06 79.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.689 0.618 . . . . 0.0 109.576 175.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.7 -52.18 60.87 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.25 1.02 . . . . 0.0 111.308 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 0.5 OUTLIER -70.98 -39.53 72.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.797 -175.279 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -55.27 -49.94 70.78 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 108.635 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.58 -36.42 84.18 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.326 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.79 -35.99 81.66 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 121.191 0.519 . . . . 0.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -43.63 54.62 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.767 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 72.5 mt -57.8 -41.91 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -57.01 -41.19 78.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -52.66 52.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.066 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.402 HG23 HD12 ' B' ' 26' ' ' LEU . 3.5 m -63.04 -32.34 55.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.04 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.94 -45.21 71.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.415 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.89 -6.58 48.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.421 . . . . 0.0 111.546 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -75.61 -20.95 58.2 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.55 38.85 0.11 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 64.7 mt -100.13 138.32 37.36 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.858 0.837 . . . . 0.0 111.661 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.537 ' O ' HG23 ' B' ' 31' ' ' VAL . 19.8 t70 -72.54 161.16 31.15 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.578 -1.646 . . . . 0.0 106.75 173.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.667 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 39.0 m80 -49.83 -36.96 28.58 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.592 0.558 . . . . 0.0 110.408 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.35 -47.67 85.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.694 0.797 . . . . 0.0 111.199 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -65.76 -39.28 90.89 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.942 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -64.34 -43.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.0 mt -62.95 -50.16 71.91 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.273 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.2 -42.32 96.68 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.366 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -63.81 -51.33 65.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.31 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.1 p -60.04 -42.06 93.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -68.02 -38.98 83.22 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.2 -43.34 61.5 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -57.52 -45.24 85.22 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.89 0.876 . . . . 0.0 111.04 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.88 -40.61 96.01 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.59 -30.49 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.703 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.1 tt -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.507 ' O ' ' HG2' ' B' ' 46' ' ' MET . 68.2 mt -66.65 -45.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.622 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -57.07 -36.0 70.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 120.572 0.225 . . . . 0.0 111.352 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' B' ' 45' ' ' PHE . 37.0 ttmt -55.7 -48.94 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.911 0.884 . . . . 0.0 109.958 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.51 ' CE2' ' HD2' ' B' ' 44' ' ' LYS . 75.4 m-85 -86.79 -20.67 27.25 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 11.9 mmt -63.81 -25.17 68.06 Favored 'General case' 0 C--O 1.247 0.943 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.453 ' OD1' ' HE2' ' B' ' 49' ' ' LYS . 8.8 t30 66.06 76.79 0.31 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 t -92.26 100.01 10.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.619 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.453 ' HE2' ' OD1' ' B' ' 47' ' ' ASN . 54.5 mtmt -136.62 32.54 2.76 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.029 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 64.27 109.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.935 2.094 . . . . 0.0 112.198 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -122.21 22.54 10.13 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.832 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.26 138.55 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.515 0.674 . . . . 0.0 111.338 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.57 149.86 37.55 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.664 ' HE2' ' HA ' ' B' ' 54' ' ' LYS . 4.4 mmpt? -78.72 92.5 4.79 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 122.352 1.072 . . . . 0.0 111.845 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.64 119.42 36.18 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.782 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.95 135.39 47.47 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 106.681 -1.599 . . . . 0.0 106.681 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -105.68 146.32 29.91 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.669 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 57.5 m80 79.48 -46.47 0.36 Allowed 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 125.582 1.553 . . . . 0.0 109.025 -172.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 4.1 t60 71.07 89.0 0.1 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 125.786 1.635 . . . . 0.0 110.545 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -137.29 156.65 48.01 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.282 -2.33 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.514 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.83 122.15 6.16 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -57.86 -36.37 72.24 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -50.67 39.83 Favored Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.64 -44.29 93.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.571 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.9 tm? -58.17 -50.79 72.28 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 124.094 0.871 . . . . 0.0 110.59 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mmmp? -68.55 -33.7 74.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 123.588 0.555 . . . . 0.0 109.766 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.0 -50.11 75.32 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.055 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.533 HG12 ' HB3' ' B' ' 20' ' ' LEU . 73.4 mt -55.18 -48.1 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 123.905 0.753 . . . . 0.0 111.16 177.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 12.6 mm-40 -60.99 -49.75 76.16 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.336 0.397 . . . . 0.0 110.731 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.9 t30 -59.2 -46.16 89.17 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -66.0 -44.91 83.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.885 0.474 . . . . 0.0 110.552 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -55.03 -50.73 68.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.471 1.109 . . . . 0.0 108.256 175.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' ILE . 8.4 mtpm? -65.17 -34.15 77.7 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.434 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 43.6 mt-10 -61.71 -42.75 99.36 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -44.26 77.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.678 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 73.8 mt -57.59 -40.97 78.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.944 0.402 . . . . 0.0 110.008 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.71 -33.45 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.995 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 10' ' ' ILE . 96.1 mt -73.78 -49.56 24.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.717 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 10.8 m -62.99 -31.24 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.334 175.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.3 -48.92 76.08 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -69.43 -18.73 63.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.695 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 56.3 t-80 -56.57 -40.99 76.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.0 46.52 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.401 -0.905 . . . . 0.0 112.682 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 23.2 mt -94.07 152.93 18.43 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.364 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.12 158.06 36.04 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 51.8 t-80 -59.0 -38.56 79.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 118.524 0.602 . . . . 0.0 110.04 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.75 -35.16 79.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.5 mmtp -63.81 -45.66 88.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.496 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.55 -42.68 81.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 124.026 0.828 . . . . 0.0 109.853 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 71.5 mt -66.97 -52.3 44.49 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -41.09 97.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.567 0.222 . . . . 0.0 111.377 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 77.1 t80 -61.59 -51.47 68.42 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.382 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.485 ' HB3' HD13 ' A' ' 18' ' ' ILE . 22.3 p -61.44 -41.29 96.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 46.6 mtp180 -63.72 -42.28 97.95 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 21.3 t0 -73.73 -44.63 55.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.988 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 6.7 tt -62.02 -38.28 88.07 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.97 -37.23 79.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.213 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -74.02 -34.26 64.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.566 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.27 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 46' ' ' MET . 56.8 mt -68.37 -57.11 10.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.304 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -55.57 -34.35 64.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.133 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -57.84 -49.92 75.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.363 0.602 . . . . 0.0 109.823 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -76.42 -33.92 58.8 Favored 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.5 mtp -62.7 -32.08 73.11 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.476 0.485 . . . . 0.0 109.998 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 75.32 -3.04 2.68 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.046 1.338 . . . . 0.0 111.665 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.05 140.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -115.32 91.04 3.48 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.983 -2.599 . . . . 0.0 103.983 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.84 151.62 11.13 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.405 -1.725 . . . . 0.0 113.962 -167.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.7 pttm -70.21 44.15 0.07 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 127.438 2.295 . . . . 0.0 112.232 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.7 m -81.51 70.09 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 CA-C-O 122.403 1.097 . . . . 0.0 110.699 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -91.01 -157.69 0.51 Allowed 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.244 -1.344 . . . . 0.0 108.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.29 76.91 1.0 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.874 0.845 . . . . 0.0 110.892 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.17 142.53 27.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.38 57.94 3.88 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.32 1.057 . . . . 0.0 110.491 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.22 -17.33 19.92 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.234 -1.348 . . . . 0.0 107.752 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 60' ' ' HIS . 12.3 t-80 -101.57 129.85 47.75 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -87.67 -3.31 58.97 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 76.3 m-70 -99.46 149.29 23.35 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -78.61 149.92 32.83 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.092 0.472 . . . . 0.0 111.23 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.913 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 CA--C 1.51 -0.587 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -101.66 159.74 15.06 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.225 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.8 ptp -77.07 -22.22 53.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.84 -36.85 93.39 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.45 -44.86 81.62 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.06 -45.97 91.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.93 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.43 81.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.73 -37.49 87.54 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.606 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.8 -43.03 89.91 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 20' ' ' LEU . 62.6 mt -59.12 -49.09 84.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.591 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -57.23 -50.19 73.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.625 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.49 -45.14 89.31 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.547 0.529 . . . . 0.0 111.967 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.412 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 15.1 tppt? -66.86 -43.57 83.27 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.93 0.395 . . . . 0.0 110.468 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -56.43 -48.86 76.13 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 124.295 1.038 . . . . 0.0 108.732 174.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 18' ' ' ILE . 84.6 mttt -62.38 -38.85 91.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.539 0.736 . . . . 0.0 112.131 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.68 -44.59 90.26 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.407 0.622 . . . . 0.0 109.658 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -40.96 95.22 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.106 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -60.49 -40.64 84.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.5 mt-30 -58.66 -41.25 85.68 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.293 0.568 . . . . 0.0 109.975 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 10' ' ' ILE . 4.8 mp -63.65 -52.67 59.7 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.363 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.7 m -66.36 -27.65 41.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.327 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.36 62.91 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 122.156 -0.34 . . . . 0.0 111.571 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -72.59 -14.2 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.088 0.47 . . . . 0.0 109.963 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.7 t60 -63.16 -38.15 90.05 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 172.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.08 49.65 0.08 OUTLIER Glycine 0 N--CA 1.428 -1.891 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.441 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.1 mt -88.91 152.35 21.78 Favored 'General case' 0 CA--C 1.486 -1.49 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.155 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.404 ' O ' HG23 ' B' ' 31' ' ' VAL . 9.9 m-20 -71.35 166.52 21.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.6 t-80 -61.32 -41.01 96.31 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.486 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 14.0 m-20 -68.91 -36.6 78.22 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.22 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.6 mmtm -57.19 -47.38 81.41 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.095 0.247 . . . . 0.0 110.552 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' ASP . 35.1 t -60.39 -40.94 85.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.543 0.527 . . . . 0.0 110.233 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.0 mt -66.39 -53.28 37.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.0 mt -62.85 -42.93 99.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.403 ' CE2' HD22 ' B' ' 38' ' ' LEU . 78.6 t80 -62.76 -53.59 51.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 56.4 p -57.96 -39.14 77.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -75.34 -38.72 60.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 16.7 t70 -74.52 -32.19 62.4 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 42' ' ' ILE . 31.0 tp -62.26 -51.79 66.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.496 173.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.74 -45.41 78.03 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.352 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 73.6 tttt -58.22 -51.82 68.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 125.962 1.705 . . . . 0.0 111.161 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.14 -39.96 80.12 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.315 0.646 . . . . 0.0 110.505 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.2 mt -68.64 -54.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.163 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -54.09 -30.92 50.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.464 0.706 . . . . 0.0 112.333 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -49.1 76.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.562 0.696 . . . . 0.0 110.096 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.85 -27.44 57.82 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 50.3 mtp -81.1 -40.44 24.08 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.626 0.727 . . . . 0.0 110.467 -177.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -130.86 -74.85 0.53 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.953 -167.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 m -86.64 88.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 CA-C-O 122.523 1.154 . . . . 0.0 113.744 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -89.7 7.21 37.85 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 113.386 -1.734 . . . . 0.0 110.163 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.48 136.18 39.37 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.731 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -89.53 26.03 1.82 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-O 121.832 0.825 . . . . 0.0 109.69 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.53 95.63 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-O 122.472 1.13 . . . . 0.0 112.207 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -135.28 15.21 3.48 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.289 -1.323 . . . . 0.0 107.723 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -141.48 129.31 21.75 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.29 107.78 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.558 1.161 . . . . 0.0 113.007 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -117.5 108.53 15.62 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.933 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 59.1 m80 59.74 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.294 1.037 . . . . 0.0 112.714 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -114.38 -41.36 3.48 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 t60 68.92 -82.98 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.201 1.4 . . . . 0.0 111.068 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 m80 55.72 -88.15 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.865 0.866 . . . . 0.0 112.071 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -100.91 136.37 40.87 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 78.6 t60 . . . . . 0 C--N 1.291 -1.956 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.795 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 CA--C 1.495 -1.166 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 68.07 179.64 0.23 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 123.839 0.712 . . . . 0.0 111.639 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.4 mtt -80.99 -18.61 46.28 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.578 -176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.71 -51.83 33.32 Favored Glycine 0 C--N 1.31 -0.869 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -70.07 -28.05 65.12 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.52 -46.22 76.93 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -35.31 80.63 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 176.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -59.96 -38.15 81.64 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.974 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.11 -35.72 56.15 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.487 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.35 -50.29 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.03 -48.11 76.6 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.5 t-20 -56.23 -53.32 58.57 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.67 -35.19 74.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.9 ttpt -57.99 -49.19 77.69 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 124.424 1.089 . . . . 0.0 109.093 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.32 -34.81 78.15 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.75 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 12' ' ' ASN . 15.4 mm-40 -55.33 -44.31 75.76 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.745 0.783 . . . . 0.0 108.923 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -42.96 67.23 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.2 mt -59.93 -43.28 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.16 -33.24 75.05 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' B' ' 10' ' ' ILE . 4.7 mp -67.06 -54.74 18.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.778 175.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 8.8 m -61.93 -32.01 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.782 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.11 -48.65 79.2 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 122.944 0.498 . . . . 0.0 111.346 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.79 -18.64 64.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.5 t-80 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.328 0.392 . . . . 0.0 110.467 173.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.01 -9.29 0.44 Allowed Glycine 0 N--CA 1.436 -1.333 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.071 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -55.35 141.1 37.37 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.1 m-20 -76.77 163.59 26.66 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.494 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 79.3 m80 -58.33 -39.4 79.35 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 123.627 0.58 . . . . 0.0 110.558 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.52 -35.22 79.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.444 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.76 -38.62 83.68 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.116 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 27' ' ' ASP . 94.7 t -63.92 -39.48 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.878 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.7 mt -60.09 -47.66 84.94 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 176.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.13 -46.74 82.76 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.6 -48.98 75.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.487 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 p -60.66 -40.26 91.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -74.16 -40.05 62.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.479 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.84 -39.09 90.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.891 0.853 . . . . 0.0 108.807 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.01 -43.24 83.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.711 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.1 -42.12 97.93 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.939 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.88 -40.71 95.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.236 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 39.3 tp -61.94 -41.63 98.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.675 ' O ' ' HG3' ' A' ' 46' ' ' MET . 67.6 mt -65.85 -56.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.871 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -52.87 -34.42 54.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.714 0.806 . . . . 0.0 112.361 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.91 -49.62 76.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.481 0.712 . . . . 0.0 110.578 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.0 m-85 -80.96 -19.32 44.39 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 77.1 mtp -77.16 -18.23 57.99 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.024 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.0 t30 71.28 6.73 5.89 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.55 1.14 . . . . 0.0 110.342 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' A' ' 46' ' ' MET . 33.5 m -82.66 122.4 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.7 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -105.82 80.18 1.51 Allowed 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 122.2 1.0 . . . . 0.0 109.472 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 64.13 -174.46 0.17 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.474 -2.148 . . . . 0.0 109.49 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -105.56 -4.23 21.43 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-O 122.179 0.99 . . . . 0.0 109.631 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.99 73.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.217 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 179.82 149.55 0.32 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.69 86.73 6.06 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.95 103.19 4.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.312 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 65.07 -77.84 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.308 1.043 . . . . 0.0 111.648 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -165.94 132.4 2.62 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -122.38 147.65 46.03 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -68.1 144.75 54.91 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.305 0.574 . . . . 0.0 112.454 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -93.86 -52.0 4.63 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -149.93 121.17 7.81 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -178.792 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 CA--C 1.5 -0.972 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.58 96.59 10.76 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.078 0.466 . . . . 0.0 110.566 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.3 mtt -108.33 -1.23 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.89 -50.58 4.57 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -64.0 -27.23 68.98 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.898 0.38 . . . . 0.0 110.19 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.21 -48.36 82.04 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.155 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -33.56 71.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -61.22 -44.82 96.67 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.02 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -43.84 91.45 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.107 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 20' ' ' LEU . 66.9 mt -48.89 -54.22 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.072 0.549 . . . . 0.0 112.196 173.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.36 -44.64 92.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.191 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.96 -47.11 86.29 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.247 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -70.97 -40.51 71.89 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 123.827 0.851 . . . . 0.0 110.539 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -52.55 -51.6 58.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.702 1.201 . . . . 0.0 108.738 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' B' ' 18' ' ' ILE . 58.8 mtpt -66.22 -34.78 78.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.661 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.88 -42.08 98.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.459 0.647 . . . . 0.0 109.776 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -70.42 -42.86 71.03 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.298 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.66 -42.24 59.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 109.665 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.24 -24.81 64.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.321 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.47 -47.09 18.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.4 t -61.66 -36.29 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 121.302 0.572 . . . . 0.0 109.724 174.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.583 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.97 -48.27 79.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.199 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -72.46 -4.88 32.99 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.873 0.368 . . . . 0.0 111.864 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.3 t-80 -68.63 -27.01 65.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.966 174.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.07 2.26 1.21 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.014 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -61.23 139.25 58.18 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.536 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 16.3 m-20 -74.03 171.69 13.03 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.91 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.476 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 14.9 p-80 -63.06 -42.68 99.75 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.071 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 20.5 m-20 -60.63 -39.42 88.16 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.584 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.536 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 33.9 mmtm -56.24 -47.45 78.47 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.551 0.532 . . . . 0.0 110.017 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 27' ' ' ASP . 36.1 t -63.02 -42.22 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.79 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.8 mt -63.4 -46.09 88.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.8 mt -66.12 -45.54 80.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.494 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.413 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 89.0 t80 -63.6 -50.31 69.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.245 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 49.6 p -60.46 -36.97 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 8.9 ptm180 -75.63 -37.69 59.52 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.53 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.03 -30.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.837 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.82 -42.91 90.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.933 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.91 -41.42 99.45 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.97 -48.41 80.05 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.208 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 29.1 tp -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.379 0.671 . . . . 0.0 111.806 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.11 -48.66 84.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.997 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.26 -28.94 70.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.7 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' B' ' 48' ' ' VAL . 37.7 ttmt -60.04 -27.51 66.99 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.464 1.106 . . . . 0.0 110.293 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD21 ' A' ' 26' ' ' LEU . 44.3 m-85 -111.34 -26.16 9.28 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.09 -29.9 24.49 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.362 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -123.28 -32.81 3.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 122.048 0.927 . . . . 0.0 111.751 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' B' ' 44' ' ' LYS . 49.5 t -88.25 108.59 18.83 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.477 0 CA-C-O 122.918 1.342 . . . . 0.0 112.451 -170.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -166.29 93.86 0.52 Allowed 'General case' 1 N--CA 1.376 -4.163 0 CA-C-N 111.779 -2.464 . . . . 0.0 105.043 169.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -33.46 107.43 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.412 1.485 . . . . 0.0 114.132 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -87.84 1.18 54.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.524 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 m -85.53 117.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.678 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 62.6 m80 65.87 15.63 10.14 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 111.013 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -78.44 145.19 35.21 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.767 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -75.37 101.28 4.7 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -110.1 101.62 10.39 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -83.71 114.18 21.4 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.205 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -118.58 85.02 2.28 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -92.42 -21.77 20.01 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.738 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -164.92 -167.53 1.24 Allowed 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -80.88 98.75 8.0 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 . . . . . 0 C--N 1.309 -1.167 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.281 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' HG3' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -63.17 118.8 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.436 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 27.6 ptm -76.61 -23.42 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -171.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.11 -50.82 26.18 Favored Glycine 0 CA--C 1.502 -0.768 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.586 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 79.4 mt-30 -71.11 -17.91 62.55 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.991 0.424 . . . . 0.0 111.019 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 1.8 tm? -75.17 -44.66 45.38 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -31.32 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 21.1 t-20 -58.39 -40.52 82.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.632 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 43.5 mmtm -76.0 -34.2 59.72 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.14 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.44 -51.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 18.9 mm-40 -58.32 -48.74 79.57 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.714 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.47 -52.65 62.94 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.077 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 2.0 tppp? -69.79 -35.91 75.26 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 42' ' ' ILE . 35.8 ttpt -57.97 -46.74 84.67 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.007 0.923 . . . . 0.0 109.256 175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 8.8 mtpm? -68.46 -35.67 77.91 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 mt-10 -57.17 -43.43 82.58 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -68.01 -44.54 76.31 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.694 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.92 -42.56 86.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.57 -33.4 73.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.354 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 91.6 mt -67.85 -52.07 41.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.424 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.5 m -62.64 -32.01 54.03 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.138 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.927 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.69 63.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.881 0.472 . . . . 0.0 111.449 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 12.7 ptm180 -61.94 -18.5 60.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.953 0.901 . . . . 0.0 111.607 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.6 t-80 -54.36 -39.27 66.98 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 172.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.65 13.21 0.38 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.948 -1.12 . . . . 0.0 114.22 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -62.67 149.84 42.53 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 m-20 -69.43 157.44 37.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 41.1 m80 -62.35 -37.49 85.84 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.071 0.462 . . . . 0.0 110.754 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.7 t70 -62.9 -39.54 94.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.503 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 31.9 mmtp -62.39 -41.2 98.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.711 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.9 t -63.14 -41.66 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.8 mt -64.89 -47.82 76.45 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.715 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 89.2 mt -60.38 -47.29 86.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.817 0.341 . . . . 0.0 110.804 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.14 -49.94 73.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.219 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.2 p -60.23 -41.83 93.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.95 -35.2 64.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.13 -33.55 63.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.934 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.923 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.29 -46.81 88.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.24 -49.79 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.324 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 54.3 tp -58.26 -47.16 84.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 123.375 0.67 . . . . 0.0 111.413 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.93 -55.32 22.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -54.7 -33.26 60.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.576 0.35 . . . . 0.0 111.861 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 38.6 ttmt -57.99 -42.66 85.61 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.03 0.932 . . . . 0.0 110.086 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.53 -31.1 22.9 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.107 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 48.2 mtp -74.17 -38.92 63.54 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 62.73 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.483 -174.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.2 169.42 21.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -120.98 0.72 10.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.871 -1.132 . . . . 0.0 113.708 -172.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.89 101.87 8.38 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 122.229 1.014 . . . . 0.0 111.063 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -137.77 21.22 2.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.606 -1.179 . . . . 0.0 107.873 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.2 149.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.326 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -84.2 -34.89 23.84 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -98.14 110.38 22.97 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.264 -1.335 . . . . 0.0 107.429 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.6 145.2 45.61 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.946 0.403 . . . . 0.0 111.637 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -106.93 23.78 13.83 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.058 0.456 . . . . 0.0 111.708 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -95.41 149.47 21.35 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 70.91 83.24 0.15 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.462 1.101 . . . . 0.0 110.159 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -147.25 13.61 1.1 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.89 0.852 . . . . 0.0 109.579 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -79.13 95.93 5.71 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.962 0.887 . . . . 0.0 111.034 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -96.22 24.63 5.53 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.319 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.308 -1.204 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.065 -179.157 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 CA--C 1.499 -0.998 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.53 64.38 4.98 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 122.387 1.089 . . . . 0.0 109.97 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -65.35 -33.92 77.11 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 112.989 -1.914 . . . . 0.0 112.434 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.35 -48.04 66.59 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.83 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 48.9 mt-30 -71.57 -36.36 70.89 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.055 0.455 . . . . 0.0 110.909 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.09 -46.43 84.27 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.939 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -28.02 66.95 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 40.5 t-20 -63.68 -43.49 96.5 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.85 -39.7 93.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.966 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.79 -51.94 66.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.518 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -54.19 -48.39 71.03 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.58 0.55 . . . . 0.0 110.368 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -61.45 -49.39 77.0 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.535 ' HE2' ' HD2' ' A' ' 13' ' ' LYS . 1.4 tpmt? -64.99 -41.34 95.49 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.553 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.7 ttpt -53.7 -53.15 56.13 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 124.975 1.31 . . . . 0.0 109.048 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.01 -38.06 89.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.293 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 45.5 mt-10 -61.38 -41.19 96.71 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 110.708 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.41 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -67.28 -45.42 76.63 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 178.564 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.7 mt -57.18 -42.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 O-C-N 123.569 0.543 . . . . 0.0 109.705 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -59.52 -32.01 69.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.885 0.474 . . . . 0.0 111.563 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 92.1 mt -79.09 -50.7 10.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.823 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.19 -27.95 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 C-N-CA 120.089 -0.644 . . . . 0.0 112.018 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -64.74 -46.3 82.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.995 0.426 . . . . 0.0 111.104 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 20' ' ' LEU . 19.7 ptp180 -73.84 -11.51 60.39 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.555 -177.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.95 -33.31 75.52 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.661 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.22 -18.88 0.23 Allowed Glycine 0 N--CA 1.434 -1.485 0 C-N-CA 119.4 -1.381 . . . . 0.0 112.69 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.4 mp -50.16 124.37 10.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.569 ' O ' HG23 ' B' ' 31' ' ' VAL . 17.0 t70 -73.76 168.59 19.08 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.058 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.65 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 61.1 m80 -57.53 -32.7 67.33 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.71 -36.05 77.96 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 34.4 mmtm -67.21 -44.71 78.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 114.418 -1.264 . . . . 0.0 109.963 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 27' ' ' ASP . 27.3 t -62.65 -40.8 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.631 0.582 . . . . 0.0 110.032 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.0 mt -62.37 -57.06 12.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.14 -42.63 95.26 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.022 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -63.85 -49.51 72.51 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.4 ' HB3' HD13 ' B' ' 18' ' ' ILE . 37.0 p -62.12 -36.51 81.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.769 0.319 . . . . 0.0 111.441 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.5 mtt180 -63.5 -52.37 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.679 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.05 -32.44 63.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.174 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.93 -42.91 97.22 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.28 -39.69 95.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -61.46 -48.65 80.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.173 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -57.81 -47.03 83.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.527 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.486 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.8 mt -61.52 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.061 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -53.29 -35.94 60.63 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 21.0 ttmm -57.19 -55.53 33.5 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 30.5 m-85 -78.3 -21.35 49.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 17.6 mtp -80.33 2.11 26.09 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.368 177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 60.89 30.49 19.67 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.694 1.197 . . . . 0.0 111.349 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' B' ' 46' ' ' MET . 39.1 t -84.23 84.93 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.742 0 CA-C-O 122.53 1.157 . . . . 0.0 108.118 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -136.41 8.15 3.11 Favored 'General case' 0 C--N 1.255 -3.541 0 CA-C-N 112.895 -1.957 . . . . 0.0 107.998 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -127.84 101.19 6.24 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 114.632 -1.167 . . . . 0.0 108.154 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -119.34 15.68 13.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.911 0.862 . . . . 0.0 109.135 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.14 176.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.547 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -75.87 131.34 39.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -72.55 106.44 4.61 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.541 0.686 . . . . 0.0 112.414 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -116.44 -177.14 3.11 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.82 103.6 9.83 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.212 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -76.79 -27.92 55.44 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.81 87.69 5.94 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 170.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -82.75 82.54 8.04 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 122.163 0.982 . . . . 0.0 111.412 -173.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 t60 179.12 135.6 0.09 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -61.56 -60.19 4.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 118.543 0.611 . . . . 0.0 111.461 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 C--N 1.309 -1.191 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.582 176.89 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -76.34 119.02 19.65 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.14 1.376 . . . . 0.0 108.762 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptm -87.41 -26.67 23.18 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.457 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.01 -45.25 57.81 Favored Glycine 0 C--N 1.318 -0.438 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.5 -31.97 73.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.165 0.507 . . . . 0.0 109.988 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.46 -44.02 88.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.5 mmmt -63.56 -32.44 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.049 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.31 -43.36 91.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -62.33 -45.27 93.99 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.552 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' B' ' 20' ' ' LEU . 62.0 mt -55.62 -48.33 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 122.831 0.452 . . . . 0.0 111.749 174.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 48.4 mm-40 -57.26 -48.31 79.18 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 120.723 0.297 . . . . 0.0 110.563 177.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.86 -45.48 94.38 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.495 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 13.6 tppt? -64.48 -45.16 88.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.109 0.481 . . . . 0.0 110.851 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' A' ' 18' ' ' ILE . 39.1 ttpt -56.3 -49.01 75.5 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 124.518 1.127 . . . . 0.0 108.561 176.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 41.6 mttm -63.54 -42.04 98.43 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.926 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' HD22 ' A' ' 20' ' ' LEU . 39.1 mt-10 -55.33 -44.72 76.16 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -65.96 -45.7 80.79 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.049 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 14' ' ' LYS . 69.4 mt -56.64 -39.09 60.8 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.715 0 O-C-N 123.694 0.621 . . . . 0.0 109.458 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -56.66 -43.98 80.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.189 0.306 . . . . 0.0 111.609 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD22 ' O ' ' A' ' 16' ' ' GLU . 1.8 mm? -67.22 -52.09 45.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.421 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.3 p -66.93 -32.16 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 119.771 -0.771 . . . . 0.0 113.023 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.31 -48.56 81.21 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 122.168 -0.333 . . . . 0.0 110.932 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -70.49 -19.33 62.94 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.535 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.9 t-80 -51.36 -56.01 15.4 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.591 0.557 . . . . 0.0 110.02 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.63 16.48 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.934 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -77.42 145.3 37.25 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.573 0.701 . . . . 0.0 111.887 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.9 m-20 -83.54 175.16 9.98 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.475 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 52.5 p-80 -59.73 -44.18 93.88 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.418 0.627 . . . . 0.0 109.681 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.9 p-10 -63.86 -35.34 80.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.726 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -68.21 -41.11 81.81 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.419 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.5 t -64.1 -38.85 83.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mt -66.82 -47.96 70.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.291 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 95.4 mt -62.16 -44.05 97.48 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' B' ' 41' ' ' LEU . 60.8 t80 -62.33 -54.81 35.15 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -59.01 -37.81 77.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 6.1 ptm180 -74.14 -37.86 63.92 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' HD21 ' B' ' 41' ' ' LEU . 26.6 t0 -74.29 -40.19 62.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.021 1.328 . . . . 0.0 110.383 174.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -41.39 87.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.771 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 55.6 mtmt -63.32 -42.39 99.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.182 178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.55 -44.15 97.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.221 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.625 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.09 -54.34 34.65 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.411 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.19 -29.61 61.11 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.2 0.6 . . . . 0.0 111.645 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -65.68 -45.34 83.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.87 -32.73 34.84 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.578 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 39.1 mtp -68.51 -19.95 64.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.199 0.523 . . . . 0.0 109.889 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t30 74.97 66.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.693 1.597 . . . . 0.0 111.146 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.54 117.88 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.532 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -92.47 3.08 56.19 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.248 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.08 107.75 18.9 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.396 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -105.69 15.75 26.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.22 145.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.984 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -126.51 170.8 11.64 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -89.83 118.59 29.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' HA ' ' NE2' ' A' ' 58' ' ' HIS . 4.4 pp -83.41 133.46 34.93 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 41.4 mt-10 -118.99 -73.44 0.64 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.99 92.19 2.1 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.623 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 55.6 m-70 -104.68 102.6 12.18 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.098 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -158.24 -45.45 0.06 Allowed 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.497 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -73.51 -33.61 64.86 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.524 1.154 . . . . 0.0 108.159 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -148.55 139.74 23.24 Favored 'General case' 0 N--CA 1.419 -1.985 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.525 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--N 1.283 -2.297 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.877 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 16.3 mm-40 -59.67 131.83 52.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.428 0.632 . . . . 0.0 112.692 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 75.2 mtm -88.81 -15.72 33.88 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.56 96.53 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 20.4 pt20 -69.82 -37.91 76.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.144 0.497 . . . . 0.0 110.921 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.99 -45.32 77.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -32.74 73.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.11 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -64.76 -39.57 93.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.855 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.03 -36.02 79.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.535 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 20' ' ' LEU . 69.1 mt -59.33 -52.01 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 14' ' ' LYS . 11.8 mm-40 -53.73 -55.08 29.42 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.991 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -67.45 -39.17 85.35 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.455 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.1 ttpt -55.86 -50.82 69.56 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 124.579 1.152 . . . . 0.0 108.427 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -60.25 -40.39 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.123 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.9 -41.07 90.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.178 0.514 . . . . 0.0 109.914 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -67.42 -43.33 81.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.761 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 73.6 mt -59.35 -39.91 80.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -59.43 -40.59 87.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.616 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.1 mp -64.73 -55.4 20.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.392 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 5.5 m -62.13 -27.54 42.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.667 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.49 -47.09 65.0 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -73.09 -10.55 59.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.101 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 50.9 t-80 -62.86 -39.5 94.6 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.67 36.9 0.04 OUTLIER Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.881 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.577 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.3 mt -88.13 152.01 22.3 Favored 'General case' 0 CA--C 1.487 -1.445 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.122 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.0 m-20 -78.26 162.55 26.46 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 173.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 13.6 t-80 -62.17 -38.53 89.39 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 118.932 0.787 . . . . 0.0 110.582 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.63 -28.91 68.85 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.23 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 30.8 mmtp -66.77 -45.63 77.9 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.8 t -59.23 -43.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.744 0.653 . . . . 0.0 109.58 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 74.4 mt -61.81 -54.6 39.97 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.081 0.552 . . . . 0.0 111.15 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -39.2 93.51 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.345 0.403 . . . . 0.0 111.526 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.68 -52.99 38.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.108 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.1 p -58.04 -37.99 75.41 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 15.9 ptm180 -73.91 -44.41 55.23 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.614 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.38 -30.21 65.86 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.795 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.458 ' O ' HG13 ' B' ' 42' ' ' ILE . 41.5 tp -64.65 -48.43 74.84 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 123.328 0.651 . . . . 0.0 110.2 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.92 -43.23 91.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.914 0.864 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -65.28 -40.57 94.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 C-N-CA 125.399 1.48 . . . . 0.0 111.895 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 34' ' ' PHE . 2.3 tm? -62.14 -41.72 98.54 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.701 ' O ' ' HG3' ' B' ' 46' ' ' MET . 61.6 mt -68.97 -49.44 63.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.605 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -53.72 -32.41 51.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.203 0.601 . . . . 0.0 112.276 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' B' ' 48' ' ' VAL . 35.4 ttmt -57.54 -40.65 79.32 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 122.019 0.914 . . . . 0.0 109.759 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.44 ' HB3' HD21 ' A' ' 26' ' ' LEU . 64.2 m-85 -90.47 -22.05 21.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.084 -0.962 . . . . 0.0 113.424 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.701 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 53.8 mtp -84.93 -40.25 17.22 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.159 0.504 . . . . 0.0 110.856 -177.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -147.86 -55.26 0.22 Allowed 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 119.157 -1.017 . . . . 0.0 113.513 -166.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 44' ' ' LYS . 17.2 t -85.73 84.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.611 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.519 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.9 82.75 7.43 Favored 'General case' 0 C--N 1.263 -3.161 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.676 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 51.87 89.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.781 1.233 . . . . 0.0 112.101 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -106.89 9.58 30.8 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.698 -0.801 . . . . 0.0 111.434 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 m -76.5 81.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.605 0.717 . . . . 0.0 112.29 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -87.12 -24.97 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -97.08 136.24 37.91 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.03 157.75 35.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.377 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -82.19 91.78 6.78 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -153.37 -173.27 4.52 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.819 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -89.07 88.81 7.71 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.928 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -152.16 104.3 2.95 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 172.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -116.71 142.52 46.8 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -77.85 -26.51 49.42 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 N--CA 1.431 -1.387 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.096 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtm . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.1 mp0 -58.93 139.82 56.19 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 125.612 1.565 . . . . 0.0 110.067 -177.485 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ptm -65.98 -21.24 66.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.345 -178.069 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.52 99.69 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.97 -33.62 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.776 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.13 -44.51 95.37 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -37.32 86.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.87 178.614 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.99 -40.96 99.34 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.37 -39.81 92.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.556 177.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.6 mt -60.09 -50.52 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.456 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.86 -52.47 64.98 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.047 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -66.56 -40.29 88.95 Favored 'General case' 0 C--N 1.312 -1.047 0 O-C-N 123.721 0.638 . . . . 0.0 111.607 -174.32 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -67.82 -42.47 81.43 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.147 0.499 . . . . 0.0 110.153 -177.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' A' ' 42' ' ' ILE . 34.6 ttpt -60.54 -45.25 94.57 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.118 0.967 . . . . 0.0 109.212 174.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 38.2 mttp -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 122.852 0.461 . . . . 0.0 111.684 178.292 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.9 mt-10 -56.71 -39.84 74.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.729 174.111 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.2 tm? -68.95 -44.71 72.46 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.0 mt -57.26 -40.03 71.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.158 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 94.0 mt-30 -65.19 -33.12 75.26 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.002 178.326 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 94.9 mt -71.06 -49.92 39.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.292 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.6 t -61.05 -33.27 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-O 121.59 0.71 . . . . 0.0 110.215 175.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.36 69.54 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.004 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -67.19 -19.52 65.57 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.728 0.299 . . . . 0.0 111.517 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 80.4 t60 -57.81 -29.53 64.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.04 174.168 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.75 39.98 0.25 Allowed Glycine 0 N--CA 1.431 -1.649 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.29 177.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.8 mt -94.95 147.41 23.41 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.979 177.074 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.8 m-20 -72.87 168.01 19.79 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 175.287 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.613 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.4 t60 -58.16 -42.89 86.97 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.261 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.18 -39.95 94.41 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.106 178.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.0 mmtm -63.93 -47.51 80.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.7 t -58.98 -42.43 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.391 0.432 . . . . 0.0 109.966 178.515 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 72.6 mt -65.69 -46.95 77.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.31 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.99 -46.63 89.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.33 0.394 . . . . 0.0 110.295 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.77 -53.25 58.52 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.108 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -59.79 -41.64 91.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.345 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -72.34 -36.97 68.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.646 -178.45 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.63 -40.83 72.88 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -61.9 -47.11 86.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.722 176.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.31 -49.57 75.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.41 -31.74 72.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 52.3 tp -65.79 -43.79 87.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.409 0.623 . . . . 0.0 109.54 175.824 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' MET . 76.2 mt -67.4 -47.17 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.04 -33.37 70.68 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.411 0.444 . . . . 0.0 110.859 178.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.4 ttmm -57.49 -49.04 77.58 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.443 0.64 . . . . 0.0 109.672 176.125 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.89 -19.26 58.97 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.63 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 53.1 mtp -78.72 9.41 4.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.366 0.603 . . . . 0.0 110.079 175.323 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 83.11 14.63 0.37 Allowed 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 127.137 2.175 . . . . 0.0 112.257 173.154 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t -81.13 108.63 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 172.421 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -95.39 94.01 7.58 Favored 'General case' 0 C--N 1.272 -2.804 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -170.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -101.84 76.19 1.61 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 166.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -99.72 23.67 9.31 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.214 1.006 . . . . 0.0 110.963 -173.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.3 m -98.4 7.88 8.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.394 174.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -87.05 101.66 13.67 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.08 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 69.23 80.92 0.18 Allowed 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.374 1.046 . . . . 0.0 110.158 -171.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD23 ' H ' ' A' ' 55' ' ' LEU . 1.7 pt? -99.03 177.52 5.21 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.336 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 72.34 104.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.589 1.181 . . . . 0.0 108.82 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -100.43 -4.59 28.63 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.345 -173.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -78.55 127.91 32.8 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -83.84 85.43 7.3 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 122.057 0.932 . . . . 0.0 111.515 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -99.58 -61.8 1.32 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.677 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -99.87 -30.62 11.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.769 0.795 . . . . 0.0 109.06 179.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 . . . . . 0 C--N 1.302 -1.493 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 177.665 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -91.43 148.95 21.95 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.405 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.458 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 4.0 ppp? -123.74 -3.66 8.21 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.124 175.312 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.09 -45.75 24.68 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.042 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 89.1 mm-40 -82.65 -30.8 29.08 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' B' ' 3' ' ' MET . 3.2 tm? -55.35 -47.41 75.79 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.119 174.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.4 mmmt -61.29 -39.25 89.74 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.47 176.279 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.4 -42.12 98.77 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.453 0.471 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 85.1 mttt -61.18 -45.23 95.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.499 177.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.25 -50.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 30.1 mm-40 -55.96 -51.93 65.94 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.7 0.625 . . . . 0.0 110.512 178.094 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -59.45 -46.96 87.27 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -68.01 -38.66 82.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.883 0.373 . . . . 0.0 110.155 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -56.43 -48.84 76.17 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 108.963 176.077 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 60.1 mtpt -64.98 -39.72 93.89 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.949 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.509 ' O ' HD22 ' B' ' 20' ' ' LEU . 47.4 mt-10 -58.59 -40.59 83.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.964 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.3 mt -53.76 -40.84 45.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 O-C-N 123.958 0.786 . . . . 0.0 109.115 179.273 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -56.92 -42.05 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.013 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.509 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.0 mm? -69.87 -48.68 57.85 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.721 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 17.0 t -62.57 -35.19 69.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-O 121.329 0.585 . . . . 0.0 110.942 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -67.61 -45.12 76.35 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.709 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -75.76 -5.29 45.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 0.0 111.038 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 33.4 t-80 -68.58 -38.95 81.12 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.13 39.15 0.03 OUTLIER Glycine 0 N--CA 1.433 -1.533 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.872 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' B' ' 30' ' ' LYS . 63.3 mt -96.38 118.44 32.91 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-O 121.869 0.843 . . . . 0.0 110.304 176.044 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.73 67.03 5.39 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.773 -177.06 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.248 1.819 . . . . 0.0 115.221 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.24 -34.61 77.82 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 26' ' ' LEU . 43.3 mmtm -61.8 -42.36 98.92 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.626 174.496 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.25 -45.45 98.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 85.0 mt -58.65 -57.36 13.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.653 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.7 -39.67 85.36 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 123.318 0.386 . . . . 0.0 111.567 -178.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 42' ' ' ILE . 57.2 t80 -60.9 -53.39 57.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.706 177.094 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -36.19 76.57 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.0 mtt180 -66.89 -45.62 77.46 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 122.722 0.409 . . . . 0.0 111.344 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.5 t70 -74.45 -38.44 62.98 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.034 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.48 -45.49 93.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 175.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.63 -40.7 88.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.502 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 21.3 pttp -76.03 -33.7 59.65 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.669 -177.472 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' HE2' ' B' ' 44' ' ' LYS . 51.9 tp -63.75 -38.32 90.68 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.178 0.513 . . . . 0.0 110.131 177.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 64.6 mt -71.2 -59.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.003 -178.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.06 -31.73 61.36 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 123.266 0.626 . . . . 0.0 111.776 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.422 ' HE2' HD12 ' B' ' 41' ' ' LEU . 40.0 ttpt -60.15 -56.14 25.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.247 0.619 . . . . 0.0 110.081 176.017 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.31 -26.76 64.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.79 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 61.6 mtp -71.53 -42.12 68.34 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.508 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 t30 64.43 30.3 13.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 109.379 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 16.2 m -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 122.576 1.179 . . . . 0.0 111.443 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -110.34 90.63 3.37 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.426 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 52' ' ' VAL . 20.2 t70 -77.65 171.27 15.18 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.703 -177.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -69.93 16.76 0.06 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.415 1.486 . . . . 0.0 112.156 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.437 ' H ' ' C ' ' B' ' 50' ' ' ASP . 24.0 m -56.93 122.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 123.915 0.886 . . . . 0.0 110.295 -178.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -83.68 148.11 27.28 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.268 -176.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -88.26 146.66 25.21 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 170.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -59.43 115.34 3.2 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 123.668 0.605 . . . . 0.0 111.126 -176.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -43.2 -30.33 0.47 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.287 2.235 . . . . 0.0 115.079 -174.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . 0.271 10.3 p-80 62.31 173.1 0.13 Allowed 'General case' 0 C--O 1.244 0.812 0 C-N-CA 125.561 1.544 . . . . 0.0 111.624 -174.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 27.9 t60 70.56 116.37 0.04 OUTLIER 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.883 0.849 . . . . 0.0 109.673 -174.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -91.19 119.47 31.31 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-O 121.531 0.681 . . . . 0.0 110.492 -176.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -87.8 88.25 7.6 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.573 -178.089 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -92.0 3.59 54.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.243 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.384 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 CA--C 1.496 -1.12 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 5' ' ' GLN . 8.2 tp10 -145.07 111.0 5.46 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptm -86.55 -14.97 41.36 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -36.39 92.39 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 4.1 pt20 -75.86 -36.34 59.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.938 0.399 . . . . 0.0 110.335 -178.625 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.01 -45.53 70.3 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 5.5 mmmt -65.49 -34.54 78.5 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.827 176.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.7 -38.82 90.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.5 mttm -62.65 -47.11 85.14 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.319 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.603 HG12 ' HB3' ' B' ' 20' ' ' LEU . 81.3 mt -55.1 -49.1 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.171 175.009 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 13.0 mm-40 -57.35 -52.19 66.37 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 123.226 0.329 . . . . 0.0 110.516 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.92 -43.96 91.21 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.836 0.71 . . . . 0.0 110.984 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.25 -48.25 68.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.095 -178.097 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.5 ttpt -56.91 -44.4 82.34 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 124.513 1.125 . . . . 0.0 109.532 176.327 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 29.7 mtpp -64.93 -38.28 90.43 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.717 177.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.2 mt-10 -56.8 -41.32 77.54 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.346 0.594 . . . . 0.0 109.444 175.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -71.0 -44.53 65.72 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.419 -179.034 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.4 mt -58.91 -42.42 85.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.491 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 74.9 mt-30 -64.69 -32.31 73.93 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.775 177.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 89.8 mt -67.34 -53.32 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.532 -0.27 . . . . 0.0 111.443 176.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.0 m -62.69 -31.7 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.356 176.3 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.75 81.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.493 -179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.8 ptp180 -67.15 -18.93 65.5 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.614 0.571 . . . . 0.0 111.115 -178.073 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 41.9 t-80 -60.61 -28.93 68.9 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.807 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.33 41.25 0.2 Allowed Glycine 0 N--CA 1.427 -1.933 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.617 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.692 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 26.7 mt -91.04 151.12 21.16 Favored 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.618 175.216 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.9 m-20 -73.07 164.81 26.15 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 172.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 38.6 t-80 -60.54 -37.24 80.56 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 176.236 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.54 -45.81 77.18 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.899 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.5 mmtm -68.61 -39.99 80.61 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.957 -177.259 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.7 t -61.86 -42.04 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.078 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.6 mt -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.95 -45.35 90.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.04 -51.53 63.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.084 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -64.13 -35.25 80.14 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.4 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 1.7 ptm180 -72.34 -43.37 64.18 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.203 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.78 -44.62 80.85 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.7 -45.05 82.05 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.954 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.86 -38.72 86.89 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.168 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 1.3 mptm? -66.79 -39.5 87.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.803 175.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.78 -45.81 88.96 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.14 0.495 . . . . 0.0 109.799 175.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 46' ' ' MET . 60.1 mt -64.41 -46.89 91.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.736 177.625 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -54.63 -39.29 67.81 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 120.648 0.261 . . . . 0.0 110.853 178.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.87 -48.91 78.45 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.253 1.021 . . . . 0.0 111.052 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -81.09 -30.31 34.71 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.34 -178.04 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 98.8 mmm -73.72 -14.26 61.11 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.339 0.59 . . . . 0.0 109.44 177.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.72 16.19 6.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.808 1.643 . . . . 0.0 110.146 176.108 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 46' ' ' MET . 24.0 m -92.63 117.88 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-O 122.315 1.055 . . . . 0.0 110.94 -179.122 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -107.06 25.4 11.41 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.818 -178.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.672 ' OD2' HG22 ' A' ' 52' ' ' VAL . 10.8 t70 68.62 137.49 0.03 OUTLIER 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.102 175.306 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.89 11.61 38.84 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -173.043 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.672 HG22 ' OD2' ' A' ' 50' ' ' ASP . 7.2 m -90.79 173.71 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 174.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -57.34 132.38 52.91 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.59 153.34 22.47 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.496 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.49 132.29 53.3 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 123.944 0.898 . . . . 0.0 110.483 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -63.28 145.79 54.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.519 -178.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -93.27 -29.82 15.48 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 174.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -125.95 109.27 12.27 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -80.8 131.56 35.42 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -85.35 29.08 0.69 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.253 0.549 . . . . 0.0 111.755 -177.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -153.74 141.38 19.93 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.331 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptp . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -93.58 123.81 37.15 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.559 177.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.416 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -64.79 -25.61 67.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -175.159 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.79 -40.8 93.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.452 177.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.13 -40.33 71.48 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' B' ' 3' ' ' MET . 2.5 tm? -60.83 -48.38 82.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.823 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.63 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.329 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -70.74 -38.33 73.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.807 177.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.424 HG23 ' CD2' ' A' ' 17' ' ' LEU . 45.9 mt -59.75 -45.35 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.419 177.204 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -52.78 -55.43 22.95 Favored 'General case' 0 CA--C 1.507 -0.712 0 O-C-N 123.964 0.79 . . . . 0.0 111.07 175.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.9 -46.76 78.3 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.924 0.765 . . . . 0.0 111.696 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -65.21 -44.43 88.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.133 0.492 . . . . 0.0 110.991 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.537 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.9 ttpt -55.73 -48.04 75.89 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 124.576 1.15 . . . . 0.0 108.963 176.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.502 -1.226 . . . . 0.0 112.154 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.2 -44.24 75.14 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.24 -45.26 85.32 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.8 mt -58.65 -44.39 89.59 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 -178.344 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -59.38 -35.76 74.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.41 . . . . 0.0 110.611 177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.603 ' HB3' HG12 ' A' ' 10' ' ' ILE . 6.1 mp -67.12 -54.33 22.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.772 176.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.4 m -65.74 -27.02 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 CA-C-O 121.335 0.588 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.51 60.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.22 -15.79 63.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.977 0.418 . . . . 0.0 111.26 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 18.8 t-80 -57.29 -32.94 67.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.454 171.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.54 40.41 0.19 Allowed Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.374 178.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 20.9 mt -80.02 145.43 32.52 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.601 0.715 . . . . 0.0 112.296 177.711 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' B' ' 30' ' ' LYS . 4.9 m-20 -69.03 162.91 25.86 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 172.382 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 41.8 m80 -57.92 -43.11 86.04 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 118.062 0.392 . . . . 0.0 110.492 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -64.0 -35.59 81.21 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.864 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 32.2 mmtp -62.23 -45.05 95.06 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -177.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.58 -43.76 98.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.338 0.589 . . . . 0.0 109.482 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.8 mt -66.62 -46.25 76.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.728 -178.515 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.9 mt -68.03 -40.0 82.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.29 -51.1 65.16 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.325 0.391 . . . . 0.0 110.727 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -57.44 -45.08 85.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -73.03 -31.43 64.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 12.1 t70 -76.51 -40.82 48.98 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.65 -46.76 88.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.615 174.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.71 -45.1 93.15 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.39 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 55.9 pttt -69.21 -33.2 72.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.032 -177.779 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.01 -37.56 86.22 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' B' ' 46' ' ' MET . 55.9 mt -68.8 -53.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.233 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -51.69 -38.23 54.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.995 177.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.74 -56.11 24.3 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.67 0.606 . . . . 0.0 109.946 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -73.79 -24.71 59.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.636 -177.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 18.8 mtp -80.19 -1.32 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.671 0.272 . . . . 0.0 110.925 178.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 t30 68.06 31.94 5.21 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.541 1.162 . . . . 0.0 109.8 177.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.13 108.29 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -135.36 23.29 3.46 Favored 'General case' 0 C--N 1.273 -2.735 0 CA-C-N 113.95 -1.477 . . . . 0.0 108.522 -178.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.71 94.64 9.15 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.942 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 3.75 24.02 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.121 -176.504 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -88.08 97.11 6.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.453 0 CA-C-O 121.675 0.75 . . . . 0.0 112.484 -175.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -88.04 -23.97 23.62 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.895 0.855 . . . . 0.0 108.704 173.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -117.2 174.33 6.18 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.015 -1.448 . . . . 0.0 107.126 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -83.62 150.65 25.77 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.687 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -164.93 -46.26 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 176.169 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -70.7 140.73 51.53 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 104.432 -2.433 . . . . 0.0 104.432 166.103 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -78.07 93.15 4.45 Favored 'General case' 0 C--N 1.281 -2.393 0 CA-C-O 121.908 0.861 . . . . 0.0 112.994 -176.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -78.81 -19.86 51.12 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 170.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 14.5 p80 179.98 163.01 1.04 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 175.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -133.74 91.04 2.78 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.131 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 32.9 m170 . . . . . 0 C--N 1.308 -1.234 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.824 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.36 115.84 23.69 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.1 mmt -62.79 -28.82 70.25 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -173.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.49 72.26 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 177.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -63.68 -43.41 96.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.373 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.75 -44.97 82.24 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.355 1.034 . . . . 0.0 110.402 177.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -43.8 95.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 178.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -66.52 -35.06 79.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.484 178.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.18 -42.46 99.38 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.373 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -59.83 -47.77 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.132 176.336 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 31.2 mm-40 -53.41 -52.38 59.56 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 124.063 0.852 . . . . 0.0 110.647 177.34 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -59.42 -48.1 82.91 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.191 -178.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.2 -36.57 79.77 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.095 0.474 . . . . 0.0 110.4 -176.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.57 -45.87 92.31 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 109.03 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.26 -40.78 94.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.234 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 mt-10 -55.62 -41.3 73.31 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.337 0.589 . . . . 0.0 109.858 174.609 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -45.74 69.41 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 178.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 15' ' ' LYS . 67.0 mt -54.96 -41.7 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 96.6 mt-30 -58.18 -44.17 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.455 0.702 . . . . 0.0 110.529 176.29 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 83.9 mt -66.63 -46.01 77.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HD13 ' A' ' 26' ' ' LEU . 49.0 t -59.76 -41.99 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 174.443 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.86 71.27 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.619 0.768 . . . . 0.0 111.949 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 20' ' ' LEU . 16.2 ptm180 -65.55 -19.01 65.75 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 25.7 t60 -59.05 -30.33 67.96 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.706 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 -2.67 1.65 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.724 -1.227 . . . . 0.0 113.768 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.4 mp -61.67 145.44 52.26 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 178.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.1 t70 -80.23 162.14 24.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.202 -1.363 . . . . 0.0 108.518 173.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.641 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 73.8 m80 -50.95 -40.41 57.34 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.786 0.834 . . . . 0.0 110.922 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.11 -40.44 86.86 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.401 0.619 . . . . 0.0 110.243 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.09 -43.45 92.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.542 179.448 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' ASP . 97.6 t -62.35 -44.06 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 123.117 0.567 . . . . 0.0 109.727 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 66.5 mt -63.41 -52.96 59.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 179.432 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -58.32 -42.33 86.5 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 120.607 0.242 . . . . 0.0 111.121 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 72.8 t80 -59.83 -51.45 69.69 Favored 'General case' 0 N--CA 1.435 -1.178 0 O-C-N 124.198 0.936 . . . . 0.0 111.024 177.694 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -67.03 -31.81 72.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.803 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 41.2 mtp85 -68.8 -40.28 79.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 109.884 178.656 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.13 -44.59 65.29 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 tp -57.35 -49.12 77.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.784 1.234 . . . . 0.0 111.752 177.411 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.68 -47.85 83.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 109.924 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.82 -34.04 77.42 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.155 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 50.7 tp -62.92 -41.29 99.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.381 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.632 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.6 mt -66.01 -55.17 20.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.369 178.018 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -53.86 -33.43 56.32 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.985 0.914 . . . . 0.0 111.275 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.66 -48.31 79.87 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 124.3 1.04 . . . . 0.0 110.631 177.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.23 -28.02 34.99 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.6 mtp -72.64 -30.66 64.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 176.625 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 60.8 t30 62.91 77.61 0.32 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.616 -1.629 . . . . 0.0 109.931 -177.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.59 103.59 14.95 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.47 -176.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -133.52 22.91 4.01 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-N 113.744 -1.571 . . . . 0.0 107.862 175.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.57 177.61 6.62 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.254 -178.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -96.3 26.3 4.4 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.481 0.658 . . . . 0.0 111.113 -175.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.08 -12.87 16.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.581 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -119.43 88.07 2.86 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.739 0.78 . . . . 0.0 110.049 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -128.64 80.2 1.95 Allowed 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 177.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt 54.62 -166.18 0.09 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.455 -170.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.74 81.28 1.94 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 122.181 0.991 . . . . 0.0 109.439 175.579 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -115.09 178.16 4.39 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.827 -1.533 . . . . 0.0 107.833 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.7 t60 71.31 -58.42 0.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.644 1.178 . . . . 0.0 110.876 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -88.54 117.75 27.71 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -177.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -127.75 129.36 46.95 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -172.67 162.78 5.11 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--N 1.303 -1.44 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.422 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 C--O 1.241 0.655 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 1.6 mp0 -60.71 119.37 8.02 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.775 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.1 ptp -81.86 -3.15 53.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.19 90.25 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -62.37 -39.28 92.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.626 0.37 . . . . 0.0 110.11 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.8 tm? -59.04 -45.08 91.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.783 178.11 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -63.46 -37.4 87.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.272 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.6 -28.61 67.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.497 179.005 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -75.69 -32.84 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.9 -44.67 98.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.995 173.251 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 36.6 mm-40 -54.94 -49.83 70.37 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 123.845 0.716 . . . . 0.0 109.31 174.319 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.63 -52.3 60.33 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -67.88 -40.22 83.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.866 -176.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -53.8 -50.84 65.25 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.481 1.112 . . . . 0.0 108.475 174.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.61 -42.36 98.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.663 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -45.62 81.01 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.477 0.656 . . . . 0.0 110.493 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -42.12 82.0 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.698 -178.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.2 mt -59.17 -40.81 81.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.919 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.76 -27.85 69.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -75.96 -50.03 16.07 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.331 178.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 1.1 m -65.93 -27.57 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.822 176.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.37 -43.48 77.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -72.36 -8.61 55.88 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.424 . . . . 0.0 111.809 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 80.6 t60 -64.95 -26.11 68.16 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.269 172.581 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.79 38.16 0.22 Allowed Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.602 -0.809 . . . . 0.0 113.486 177.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 46.7 mt -93.41 151.98 19.4 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 121.58 0.705 . . . . 0.0 111.735 177.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.57 ' O ' HG23 ' B' ' 31' ' ' VAL . 13.1 m-20 -82.22 163.46 21.87 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 173.72 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.651 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 50.4 m80 -52.13 -39.88 60.54 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.088 0.404 . . . . 0.0 110.672 178.36 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.65 -47.36 85.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.479 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.554 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -63.16 -40.85 98.75 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.86 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 27' ' ' ASP . 33.2 t -62.55 -44.16 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.772 177.289 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.3 mt -63.33 -44.78 93.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.88 -41.06 92.03 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.367 0.417 . . . . 0.0 111.489 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.402 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 91.8 t80 -64.93 -49.09 71.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.44 178.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.481 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.4 p -61.43 -38.43 87.1 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.732 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 13.3 ptm180 -73.51 -37.24 65.74 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.11 -42.03 76.65 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.147 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.91 -41.66 97.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.996 177.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.269 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.5 -35.87 81.33 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.513 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.24 -44.64 96.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.354 0.597 . . . . 0.0 109.908 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' MET . 44.3 mt -68.97 -51.15 47.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.667 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.55 -27.92 68.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.802 0.334 . . . . 0.0 111.77 -179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.93 -54.59 43.1 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.761 0.824 . . . . 0.0 108.915 174.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' A' ' 26' ' ' LEU . 40.5 m-85 -74.74 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 14.6 mmt -73.67 -18.06 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 173.291 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 65.88 21.5 11.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.006 1.322 . . . . 0.0 109.65 -178.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' B' ' 46' ' ' MET . 58.1 t -90.1 100.73 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 CA-C-O 122.276 1.036 . . . . 0.0 108.384 -178.555 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -134.72 22.85 3.63 Favored 'General case' 0 C--N 1.25 -3.741 0 CA-C-N 113.456 -1.702 . . . . 0.0 107.161 -177.257 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.511 ' HB3' HG22 ' B' ' 52' ' ' VAL . 15.1 m-20 -54.84 144.75 21.65 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.09 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -97.04 7.87 45.72 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.75 -178.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' B' ' 50' ' ' ASP . 21.6 m -99.81 177.67 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.488 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -70.44 111.75 6.21 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -99.87 -167.93 1.53 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.667 -178.176 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.02 135.75 57.67 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -73.62 92.45 1.95 Allowed 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 174.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -101.65 127.2 48.5 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.494 -173.239 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -162.35 169.93 19.71 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 179.323 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -79.44 143.28 35.13 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.395 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -87.98 111.71 21.79 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.558 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -75.25 135.21 40.98 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.872 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 m170 . . . . . 0 C--N 1.298 -1.665 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 177.716 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mmt . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 119.748 -0.167 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 67.33 117.56 0.03 OUTLIER 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.761 1.224 . . . . 0.0 111.919 176.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.5 ptm -57.91 -29.74 65.34 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.109 -174.17 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.64 -49.4 79.01 Favored Glycine 0 C--O 1.243 0.665 0 C-N-CA 121.528 -0.368 . . . . 0.0 112.315 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.4 mt-30 -73.0 -42.64 63.03 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.156 0.503 . . . . 0.0 109.871 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.76 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 3' ' ' MET . 1.3 tmmm? -60.66 -42.25 96.67 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.349 0.66 . . . . 0.0 109.446 -179.211 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.01 -35.26 80.08 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.1 mmmt -69.23 -39.3 78.62 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.29 -52.19 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -50.98 -52.12 45.91 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 123.967 0.792 . . . . 0.0 111.064 177.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.84 -49.26 77.25 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.742 -178.031 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -70.02 -37.81 75.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.108 0.48 . . . . 0.0 110.356 -176.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' HD12 ' A' ' 42' ' ' ILE . 28.7 ttpt -59.78 -44.33 93.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.669 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.54 -38.33 86.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.017 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.38 -39.0 75.13 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.18 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -69.85 -45.44 67.76 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.177 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.5 mt -56.4 -42.81 75.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 123.371 0.419 . . . . 0.0 109.996 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.79 -34.05 75.19 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 177.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.03 -50.22 30.32 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.385 -0.197 . . . . 0.0 110.76 177.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 17' ' ' LEU . 36.9 t -59.51 -38.0 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 121.397 0.618 . . . . 0.0 110.177 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.3 -52.06 51.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.656 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.72 -19.0 65.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.638 -177.327 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.07 -42.65 81.03 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.05 38.25 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.116 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.703 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 47.1 mt -92.17 150.83 20.7 Favored 'General case' 0 CA--C 1.483 -1.616 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.779 176.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.2 t70 -79.36 158.64 27.4 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 172.161 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.5 t-160 -54.14 -34.23 59.83 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 123.277 0.361 . . . . 0.0 110.398 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 t70 -63.68 -46.01 87.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 178.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.1 mmtp -59.35 -43.99 92.73 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.047 178.362 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' ASP . 22.0 t -60.9 -42.24 91.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 122.429 0.292 . . . . 0.0 110.511 178.195 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 55.7 mt -63.14 -46.06 89.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 62.3 mt -66.86 -46.3 75.47 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.456 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CE1' HG12 ' B' ' 42' ' ' ILE . 57.0 t80 -61.79 -49.29 76.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 123.643 0.589 . . . . 0.0 111.696 -178.249 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 p -57.37 -46.16 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.365 0.416 . . . . 0.0 111.74 -177.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.23 -30.79 62.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.446 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.83 -46.58 35.59 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.7 tp -59.02 -43.42 91.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.807 176.6 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.6 -37.8 79.52 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.727 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.37 -31.2 42.84 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.424 -0.91 . . . . 0.0 110.769 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 4.8 tt -61.48 -37.7 84.58 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.3 mt -68.43 -55.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.386 178.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -54.98 -29.17 56.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.2 1.0 . . . . 0.0 112.02 177.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.7 ttmt -60.85 -46.9 88.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.414 1.086 . . . . 0.0 109.594 175.323 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -83.08 -29.49 28.73 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.55 -179.008 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 78.6 mtp -68.59 -29.11 67.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.089 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 65.34 28.67 11.76 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.968 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.82 133.54 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 178.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -127.06 9.08 6.76 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.845 0.831 . . . . 0.0 109.754 178.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.33 76.58 8.33 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 -176.607 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -107.7 8.23 28.86 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 122.494 1.14 . . . . 0.0 107.977 171.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -91.05 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 113.624 -1.625 . . . . 0.0 107.674 178.024 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -109.98 92.91 4.24 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -109.56 92.86 4.22 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.39 -177.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.09 143.93 31.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.097 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -91.39 141.4 28.79 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.985 0.421 . . . . 0.0 111.053 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -109.04 107.98 18.52 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.321 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -91.69 -8.6 46.56 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.293 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -119.72 71.28 0.88 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 122.158 0.98 . . . . 0.0 108.643 176.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -101.15 -29.57 12.05 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.25 -1.341 . . . . 0.0 108.145 178.04 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -134.64 173.96 11.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.074 -0.967 . . . . 0.0 108.814 176.464 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 . . . . . 0 C--N 1.295 -1.779 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.449 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 CA--C 1.498 -1.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -124.02 157.88 33.41 Favored 'General case' 0 CA--C 1.488 -1.427 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -171.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.8 ptm -153.11 -33.26 0.12 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.879 -1.964 . . . . 0.0 108.277 170.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.23 -49.0 22.69 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -69.5 -23.41 63.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.855 0.836 . . . . 0.0 109.763 178.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.26 -46.04 57.58 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.93 71.66 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -58.46 -45.07 89.35 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.035 172.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -70.74 -32.42 69.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.849 177.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 17' ' ' LEU . 49.4 mt -59.11 -48.56 86.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -52.72 -55.17 24.61 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 123.688 0.618 . . . . 0.0 109.942 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 5.9 t30 -51.48 -51.57 53.96 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.029 0.83 . . . . 0.0 112.373 178.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.11 -44.67 75.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.049 0.452 . . . . 0.0 111.274 -174.554 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' B' ' 42' ' ' ILE . 30.2 ttpt -57.28 -43.79 83.43 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 124.124 0.97 . . . . 0.0 109.606 177.002 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -72.52 -32.97 66.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.711 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 42.9 mt-10 -59.84 -40.91 90.14 Favored 'General case' 0 C--N 1.343 0.308 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 173.191 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.3 tp -67.68 -44.77 76.99 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.617 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.55 -43.68 65.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 123.575 0.547 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 49.0 mt-30 -65.94 -29.36 69.75 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.453 178.214 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.46 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 78.2 mt -74.73 -48.72 24.21 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.37 -0.206 . . . . 0.0 110.784 176.395 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.1 t -61.58 -31.88 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.479 0.657 . . . . 0.0 109.563 176.275 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -44.26 77.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.004 177.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 12.6 ptp180 -76.45 0.32 20.17 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.227 0.537 . . . . 0.0 111.778 -178.301 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 23.0 t-80 -67.79 -27.58 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.376 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.63 32.33 0.66 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.156 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.3 mt -76.17 148.11 37.99 Favored 'General case' 0 CA--C 1.488 -1.416 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.617 178.121 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.49 160.51 32.59 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.563 171.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.528 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 3.0 t60 -55.46 -43.73 75.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -178.189 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.78 -35.21 79.83 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.479 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.1 mmtm -64.98 -44.68 88.53 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 123.491 0.495 . . . . 0.0 111.608 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.76 -45.07 98.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.281 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.5 mt -58.22 -55.07 39.78 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.84 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -42.33 98.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.044 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.411 ' CE1' HD22 ' A' ' 41' ' ' LEU . 87.9 t80 -61.33 -49.9 75.1 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.356 0.41 . . . . 0.0 110.54 179.1 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -60.11 -32.44 70.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.092 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -74.72 -52.01 12.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.094 0.473 . . . . 0.0 110.626 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.21 -40.49 96.28 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.385 -174.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -71.82 -37.73 70.28 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.586 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.93 -44.09 97.01 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.69 -39.26 88.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.85 177.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.82 -42.59 93.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.457 HD12 ' HD3' ' B' ' 14' ' ' LYS . 69.9 mt -71.85 -44.33 67.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.264 178.435 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.31 -33.55 67.81 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.151 0.5 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.93 -49.14 75.96 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.716 177.433 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.59 -28.95 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 4.3 mmt -67.91 -19.27 64.98 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 m120 55.52 59.1 4.08 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.877 1.271 . . . . 0.0 110.053 -175.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -71.31 106.18 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.402 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.187 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -102.09 1.0 35.79 Favored 'General case' 0 C--N 1.278 -2.529 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.603 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.17 111.18 17.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.625 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -93.6 8.3 41.34 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.54 0.686 . . . . 0.0 110.427 -178.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 m -107.24 151.2 9.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.989 -177.402 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 63.0 m80 72.45 141.91 0.06 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.123 1.369 . . . . 0.0 111.981 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 73.23 113.2 0.06 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.201 1.4 . . . . 0.0 112.75 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.1 92.71 7.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 66.39 -72.77 0.08 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.786 1.234 . . . . 0.0 110.342 -175.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -142.03 -3.94 1.07 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -83.68 142.23 30.9 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -178.17 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 64.12 46.06 3.83 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.441 1.115 . . . . 0.0 109.09 -178.15 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -76.45 165.0 25.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.306 -1.316 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 m170 74.86 139.74 0.06 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.84 1.256 . . . . 0.0 110.684 -175.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--N 1.286 -2.166 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.396 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptt? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.23 144.72 26.69 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.44 178.516 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -55.22 -36.12 65.63 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.986 0.804 . . . . 0.0 111.468 -178.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.67 91.75 Favored Glycine 0 C--O 1.226 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.157 179.582 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.45 -25.38 28.99 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.122 0.487 . . . . 0.0 110.275 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.96 -41.25 78.22 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 172.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 11.1 mmmt -58.83 -38.28 78.32 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.321 174.316 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.54 -41.26 89.64 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.81 0.694 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -65.0 -47.14 78.57 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -57.43 -50.04 78.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.417 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 14.5 mm-40 -54.57 -51.51 65.02 Favored 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 123.842 0.714 . . . . 0.0 111.025 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.7 t30 -61.68 -47.49 85.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.317 0.385 . . . . 0.0 111.53 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.32 -40.41 97.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.05 0.452 . . . . 0.0 110.213 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.0 ttpt -57.7 -52.38 65.68 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 109.258 176.217 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 7.1 mtpm? -65.81 -34.0 77.14 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.771 -177.563 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 38.8 mt-10 -62.73 -42.72 99.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.0 175.063 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.2 tp -64.25 -46.41 83.88 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.024 178.008 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.3 mt -54.56 -44.76 70.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 123.953 0.783 . . . . 0.0 110.023 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.524 0.515 . . . . 0.0 111.157 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.35 -47.63 66.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.3 t -63.56 -37.32 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 120.958 0.409 . . . . 0.0 109.922 176.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -65.11 -50.55 65.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.306 0.642 . . . . 0.0 112.489 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -61.71 -19.27 62.21 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.477 0.311 . . . . 0.0 111.834 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 76.5 t60 -57.44 -28.48 63.35 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.575 0.75 . . . . 0.0 111.155 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.32 -2.6 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.185 -1.484 . . . . 0.0 114.007 178.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -60.52 149.73 33.61 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.8 m-20 -87.34 176.42 7.54 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.286 177.168 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 16.1 m-70 -66.22 -43.63 86.12 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.509 -178.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.84 -32.02 73.15 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 178.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.27 -45.71 79.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.456 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 27' ' ' ASP . 64.0 t -62.98 -40.48 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 78.8 mt -61.75 -53.51 55.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 177.634 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.864 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.86 -52.0 62.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 18' ' ' ILE . 71.8 p -66.15 -38.1 87.29 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.719 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.4 ptm180 -68.69 -34.02 74.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.953 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.9 -48.04 48.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 42' ' ' ILE . 31.3 tp -54.3 -50.74 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.769 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.76 -48.68 78.97 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.306 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.89 -36.57 83.77 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.733 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.51 -45.76 92.62 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.373 0.669 . . . . 0.0 110.387 177.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.644 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.1 mt -64.39 -56.84 14.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.734 -178.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.3 -29.37 61.11 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.069 0.948 . . . . 0.0 111.872 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.65 -49.82 69.51 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.647 0.779 . . . . 0.0 109.919 175.262 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' HB3' HD21 ' B' ' 26' ' ' LEU . 40.5 m-85 -73.82 -33.1 64.03 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.637 -179.262 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 68.2 mtp -66.92 -41.48 87.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' OD1' ' HD2' ' A' ' 49' ' ' LYS . 27.7 t-20 77.94 76.22 0.07 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.871 1.32 . . . . 0.0 109.364 -171.229 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 46' ' ' MET . 58.2 t -108.0 131.79 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 CA-C-N 113.662 -1.608 . . . . 0.0 107.609 -179.584 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 1.9 mppt? -130.31 7.5 4.98 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -177.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.4 87.84 6.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.109 -1.86 . . . . 0.0 108.885 -172.189 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -87.57 -1.09 57.71 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.624 0.726 . . . . 0.0 111.97 -176.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m -82.23 -6.65 10.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 122.365 1.079 . . . . 0.0 108.933 172.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.19 7.1 19.39 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.695 175.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -142.25 115.17 8.71 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.455 -173.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 55' ' ' LEU . 1.7 pt? -120.99 107.45 12.67 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.431 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.52 -67.0 0.94 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 68.98 122.08 0.03 OUTLIER 'General case' 0 C--O 1.243 0.725 0 C-N-CA 125.64 1.576 . . . . 0.0 112.797 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -79.8 68.88 6.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -176.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -102.01 4.95 40.37 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.323 176.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 70.87 -47.2 0.65 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.802 1.641 . . . . 0.0 111.374 -178.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -80.81 117.94 21.9 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 t60 . . . . . 0 C--N 1.299 -1.625 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -179.117 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.7 tpp . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 11.5 tp10 -83.39 132.03 35.01 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -81.14 -15.45 55.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.387 . . . . 0.0 109.971 -179.088 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.31 77.84 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.579 175.234 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 9.6 pt20 -73.5 -33.23 64.69 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.025 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.89 -46.58 68.02 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 mmmt -63.18 -36.74 84.63 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.041 177.021 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.46 -43.03 97.31 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.516 0.51 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 67.8 mttm -61.5 -46.61 89.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.01 -51.04 73.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 O-C-N 123.855 0.722 . . . . 0.0 110.206 178.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 31.4 mm-40 -57.22 -52.97 63.17 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.561 0.538 . . . . 0.0 111.208 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.73 -49.64 74.61 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 123.809 0.693 . . . . 0.0 110.924 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.78 -46.83 77.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.002 -176.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.554 ' O ' HG13 ' B' ' 18' ' ' ILE . 32.8 ttpt -57.0 -46.42 82.31 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.606 1.163 . . . . 0.0 110.208 177.085 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 8.0 mtpm? -67.49 -36.01 80.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.124 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' NE2' ' B' ' 19' ' ' GLN . 47.4 mm-40 -60.93 -35.81 77.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.14 0.495 . . . . 0.0 111.037 174.002 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -72.31 -45.46 59.87 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.873 177.337 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 14' ' ' LYS . 87.3 mt -54.69 -43.42 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.483 0.489 . . . . 0.0 110.156 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' B' ' 16' ' ' GLU . 43.8 mt-30 -59.08 -39.41 82.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.128 176.788 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.56 -48.64 66.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.044 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.572 ' O ' HD13 ' B' ' 26' ' ' LEU . 25.4 t -60.0 -42.67 90.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.036 0.446 . . . . 0.0 110.148 175.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 112.103 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.09 -9.94 55.14 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 80.7 t60 -66.47 -30.14 70.41 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 120.775 0.321 . . . . 0.0 110.426 176.038 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.72 5.51 0.25 Allowed Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 119.258 -1.449 . . . . 0.0 113.842 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -63.76 151.18 42.81 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.853 0.835 . . . . 0.0 113.222 176.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.479 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.0 m-20 -85.6 169.18 13.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 173.275 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.529 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 64.8 m80 -60.49 -39.22 86.92 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 117.917 0.326 . . . . 0.0 110.74 179.282 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 52.9 m-20 -63.98 -39.68 94.67 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.159 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 48.9 mmtt -58.7 -44.41 90.31 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 178.18 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.8 t -62.13 -46.05 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.465 0.478 . . . . 0.0 109.819 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.9 mt -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.66 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.7 mt -70.43 -39.43 74.4 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -65.1 -51.98 58.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.301 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 p -60.49 -37.86 82.45 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.324 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -73.1 -36.68 66.81 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.997 -178.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 14.1 t70 -69.59 -45.18 69.22 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.139 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.553 176.523 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.34 -41.04 88.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.909 -179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 12.8 pttm -70.91 -33.7 70.81 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.557 -177.611 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.35 -38.02 89.52 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' B' ' 46' ' ' MET . 74.5 mt -68.1 -55.18 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.803 179.312 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.43 -42.76 61.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.484 0.713 . . . . 0.0 111.072 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.16 -48.46 78.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 178.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -80.03 -25.2 40.27 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.328 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.7 mtp -68.35 -21.47 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.555 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.1 t30 68.06 25.53 7.48 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.771 1.272 . . . . 0.0 108.74 178.689 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.78 143.84 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.739 -177.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -130.18 21.97 5.27 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 -177.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.65 91.65 4.04 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.121 -174.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -126.5 46.33 2.49 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.501 -1.681 . . . . 0.0 106.924 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -51.7 144.72 2.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 113.142 -1.845 . . . . 0.0 113.363 -177.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -123.07 145.48 48.51 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.281 -1.327 . . . . 0.0 107.888 -178.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 64.87 83.22 0.17 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.923 0.764 . . . . 0.0 109.527 -176.168 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.613 HD23 ' H ' ' B' ' 55' ' ' LEU . 2.0 pt? -81.17 84.59 6.52 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 122.836 1.303 . . . . 0.0 110.119 179.592 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.53 -37.0 8.99 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.598 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 29.2 m170 63.85 -172.53 0.17 Allowed 'General case' 0 C--O 1.25 1.102 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.56 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 61' ' ' HIS 0.282 7.4 p-80 -97.66 68.7 2.11 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.633 1.206 . . . . 0.0 111.299 175.718 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.75 -47.81 65.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.913 -1.494 . . . . 0.0 107.843 179.012 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -100.5 73.04 1.61 Allowed 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.485 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.406 ' HB3' ' HB2' ' B' ' 58' ' ' HIS . 15.4 p-80 -88.2 156.11 19.4 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.123 -178.327 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 51.8 m80 . . . . . 0 C--N 1.29 -2.013 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 179.284 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.823 0.344 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.72 112.11 14.45 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -179.067 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptp -79.89 -12.37 59.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -174.195 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.93 -54.38 14.62 Favored Glycine 0 N--CA 1.439 -1.165 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 177.559 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 26.1 mm-40 -66.74 -19.17 65.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.821 0.343 . . . . 0.0 110.441 178.557 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.4 -50.18 16.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.83 -34.05 72.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.588 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 13.5 t-20 -57.77 -41.54 82.21 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.288 1.435 . . . . 0.0 110.471 177.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 44.5 mmtm -75.36 -32.47 60.86 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.1 mt -67.91 -44.43 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.949 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 11.4 mm-40 -58.76 -50.62 73.25 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.702 0.626 . . . . 0.0 110.051 177.391 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.68 -50.22 74.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.87 -179.096 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.48 -41.78 92.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.188 0.518 . . . . 0.0 110.544 -175.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.9 ttpt -59.9 -44.8 94.05 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 124.294 1.037 . . . . 0.0 109.617 175.53 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 62.4 mtpt -65.94 -37.35 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.38 -42.28 81.83 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.116 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.6 -46.15 80.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.387 178.919 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.3 mt -57.54 -41.8 79.74 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 123.661 0.601 . . . . 0.0 110.032 -178.435 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.43 -39.47 93.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 176.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.9 -49.8 55.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.61 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.542 ' O ' HD13 ' A' ' 26' ' ' LEU . 6.8 p -66.31 -31.75 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.779 177.324 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -60.28 -51.54 69.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.791 0.329 . . . . 0.0 110.582 175.393 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -66.63 -17.62 64.93 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 32.6 t-80 -54.56 -41.45 69.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.296 173.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.77 -7.48 0.13 Allowed Glycine 0 N--CA 1.438 -1.226 0 C-N-CA 119.496 -1.335 . . . . 0.0 112.914 -176.732 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.57 144.56 31.31 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-O 122.164 0.983 . . . . 0.0 113.392 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.9 m-20 -78.35 159.78 28.19 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.457 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -64.6 -26.93 68.62 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 118.314 0.506 . . . . 0.0 111.898 178.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.3 t70 -68.05 -40.35 82.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.61 173.518 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -61.16 -38.25 85.79 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.154 177.545 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.1 t -65.09 -38.52 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 123.53 0.519 . . . . 0.0 109.828 -178.385 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -47.0 79.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.775 177.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 63.0 mt -66.65 -45.1 80.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.558 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 87.6 t80 -61.64 -52.35 64.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.08 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.4 p -62.49 -37.2 85.08 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -175.171 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.94 -41.43 64.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -178.361 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.96 -45.71 66.82 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 42' ' ' ILE . 40.8 tp -54.97 -50.07 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.599 1.16 . . . . 0.0 111.558 178.4 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.45 -47.47 76.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.097 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -67.84 -34.8 77.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.067 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.24 -40.61 90.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.056 0.455 . . . . 0.0 110.329 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.8 mt -65.97 -56.99 12.34 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.046 -179.691 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' A' ' 48' ' ' VAL . 94.2 m-20 -57.97 -31.26 66.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.24 -178.471 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.84 -49.67 75.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.56 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 10.0 m-85 -74.04 -33.77 63.85 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.435 -179.616 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 62.6 mtp -63.55 -23.58 67.45 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.612 0.57 . . . . 0.0 110.612 178.859 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 78.0 11.06 2.0 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.687 1.195 . . . . 0.0 109.778 -179.259 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' A' ' 43' ' ' ASN . 25.3 m -114.15 117.21 54.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.69 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -111.15 24.66 12.61 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 122.661 1.219 . . . . 0.0 109.718 -177.115 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -138.73 156.49 47.34 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 104.236 -2.505 . . . . 0.0 104.236 174.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -94.61 6.52 48.61 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.649 -0.821 . . . . 0.0 111.532 -178.119 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.0 m -128.66 162.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.039 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.504 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -71.61 -17.74 62.26 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.343 0.402 . . . . 0.0 110.854 -178.473 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 70.27 80.7 0.17 Allowed 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 176.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.15 113.81 25.83 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.292 177.177 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.47 -48.42 72.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.107 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -133.91 111.05 10.14 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.479 179.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -108.98 109.67 20.77 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.86 0.838 . . . . 0.0 110.163 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -125.18 28.53 6.34 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.621 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -145.04 143.4 30.45 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 -178.103 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 75.73 -58.23 0.55 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.168 0.987 . . . . 0.0 110.521 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 . . . . . 0 C--N 1.291 -1.938 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.65 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.8 tpp . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.05 133.22 53.43 Favored 'General case' 0 N--CA 1.412 -2.339 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 23.2 ptp -65.46 -30.96 71.81 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.595 -177.274 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 -36.31 65.63 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.595 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 26.9 mm-40 -76.85 -31.29 56.75 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.127 177.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.42 -46.46 88.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -64.05 -34.46 78.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.761 179.085 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.128 177.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 35.2 mmtp -66.02 -37.59 86.29 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 177.305 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.23 -47.62 91.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.865 176.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 72.3 mm-40 -59.58 -50.02 75.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.82 -52.17 51.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.701 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.83 -38.18 73.23 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.643 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.563 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.3 ttpt -56.63 -50.02 73.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.475 0.71 . . . . 0.0 109.248 175.773 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -60.45 -40.3 90.66 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.313 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -57.83 -41.38 82.16 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.252 0.548 . . . . 0.0 110.635 176.132 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 14' ' ' LYS . 12.6 tp -67.17 -45.11 77.98 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.844 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -56.88 -43.89 81.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.14 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.183 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -77.96 -47.44 18.55 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.097 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.73 -27.36 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 0 CA-C-O 121.464 0.649 . . . . 0.0 110.2 177.665 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.69 -45.62 71.17 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.187 178.352 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -75.08 -1.0 20.93 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.344 0.592 . . . . 0.0 111.643 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.5 t-80 -72.0 -29.0 63.77 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.792 171.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.57 -8.3 0.86 Allowed Glycine 0 CA--C 1.508 -0.358 0 C-N-CA 119.174 -1.489 . . . . 0.0 114.065 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -56.58 141.41 43.28 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 4.5 m-20 -75.5 176.08 7.9 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.499 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 62.2 m170 -68.59 -38.81 80.95 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.263 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -32.05 72.57 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 120.521 0.2 . . . . 0.0 110.737 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 31.4 mmtm -59.73 -45.63 91.58 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.642 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 27' ' ' ASP . 60.5 t -62.58 -43.96 98.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.387 179.748 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 94.2 mt -60.98 -52.88 63.14 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.182 0.593 . . . . 0.0 111.633 178.641 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.87 -39.83 95.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.7 -52.67 41.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 54.6 p -59.01 -39.4 81.75 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -175.717 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -73.34 -37.07 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.731 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -69.15 -40.81 77.97 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.93 -50.11 74.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.349 175.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.45 -45.91 84.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.961 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -56.3 -47.01 79.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 125.332 1.453 . . . . 0.0 110.502 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.78 -41.77 95.6 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.704 ' O ' ' HG3' ' B' ' 46' ' ' MET . 53.4 mt -67.83 -51.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.071 -178.176 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.31 -35.43 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.954 0.502 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.49 -45.32 92.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.732 178.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -78.72 -32.76 46.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.704 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.3 mtp -65.26 -29.68 70.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.178 -178.672 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 69.36 16.95 8.27 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.499 1.12 . . . . 0.0 112.162 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.2 133.3 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.612 178.352 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -110.3 99.09 8.18 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.36 93.26 2.89 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 122.938 1.351 . . . . 0.0 110.786 -178.264 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -100.99 33.4 2.84 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.306 176.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.63 60.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.442 -1.254 . . . . 0.0 113.925 -175.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -82.91 144.26 30.16 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 172.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt 63.46 83.85 0.16 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -168.764 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.433 HD23 ' H ' ' B' ' 55' ' ' LEU . 2.5 pt? -66.27 141.06 58.15 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.289 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.58 25.83 0.73 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 120.804 0.335 . . . . 0.0 110.388 -176.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 38.8 m80 55.67 81.24 0.12 Allowed 'General case' 0 CA--C 1.5 -0.967 0 C-N-CA 124.481 1.113 . . . . 0.0 110.586 -175.127 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -88.37 -17.78 29.83 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.654 -173.233 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -92.58 68.03 4.72 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 122.162 0.982 . . . . 0.0 109.985 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -136.62 -50.85 0.68 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.597 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 m80 62.99 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.39 1.476 . . . . 0.0 112.373 173.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.034 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 CA--C 1.506 -0.716 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -46.27 118.27 1.87 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 0.0 111.693 -177.525 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.3 ptm -54.96 -35.27 64.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.456 0.703 . . . . 0.0 112.794 -174.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.33 91.36 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.087 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.495 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.5 mm-40 -88.16 -39.4 14.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.817 0.341 . . . . 0.0 111.251 177.578 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.95 -51.68 68.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.728 -177.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -67.19 -28.48 68.13 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.057 179.545 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.66 -41.53 88.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.475 178.083 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.3 mmmt -68.7 -37.49 79.57 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.69 -51.5 69.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 175.372 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 33.3 mm-40 -52.83 -52.83 55.61 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 123.612 0.57 . . . . 0.0 111.452 178.022 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 45.8 t30 -60.07 -47.56 85.35 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.767 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 3.0 tppp? -69.51 -38.67 77.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -176.628 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 32.2 ttpt -59.44 -45.08 92.58 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.486 0.715 . . . . 0.0 109.657 175.457 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 28.4 mtpp -62.67 -42.71 99.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.205 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 mm-40 -55.91 -41.08 73.98 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 176.123 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.13 -45.23 81.77 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.814 178.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.4 mt -57.76 -43.02 83.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.725 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 70.9 mt-30 -59.16 -41.33 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.616 0.573 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.3 mt -66.38 -49.58 66.37 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.816 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.4 m -65.44 -31.34 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.889 177.179 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.13 68.49 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.245 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -67.58 -18.54 65.03 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.721 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.5 t-80 -55.26 -40.54 71.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 172.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.81 45.81 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.825 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.356 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.9 mt -93.8 147.77 22.75 Favored 'General case' 0 CA--C 1.477 -1.859 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.592 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 8.7 m-20 -65.94 160.26 23.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 171.07 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -63.9 -33.73 76.35 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.82 177.728 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.25 -35.36 80.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.467 174.282 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.7 mmtm -63.57 -45.14 91.83 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.8 -43.98 85.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.3 mt -61.02 -53.56 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.572 177.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.4 -39.69 94.06 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.578 -178.17 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 81.5 t80 -64.75 -50.1 68.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 178.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 p -64.55 -34.88 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.042 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 83.2 mtp180 -67.76 -44.27 77.89 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.651 178.292 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 11.2 t70 -72.94 -40.74 65.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.174 -176.756 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.6 -44.66 96.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.934 177.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -34.97 79.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.37 -177.581 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.4 pttm -69.74 -33.73 72.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.069 -178.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.83 -37.53 86.48 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.64 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' O ' ' HG2' ' A' ' 46' ' ' MET . 64.1 mt -73.31 -44.41 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.093 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -57.34 -36.91 71.76 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.834 0.35 . . . . 0.0 110.782 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.8 -48.47 78.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.899 178.424 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.3 m-85 -79.22 -28.03 42.51 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.1 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.508 ' HB3' HG13 ' A' ' 48' ' ' VAL . 7.2 mmt -68.11 -30.22 69.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 173.604 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.422 ' OD1' ' HE3' ' A' ' 49' ' ' LYS . 66.4 t30 63.23 33.54 14.14 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.724 1.61 . . . . 0.0 108.785 -177.636 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 46' ' ' MET . 15.8 m -77.0 103.18 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.27 0 CA-C-O 122.164 0.983 . . . . 0.0 111.049 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE3' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mttt -104.12 99.4 9.14 Favored 'General case' 0 C--N 1.266 -3.023 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 176.678 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.3 168.78 13.54 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.794 0.807 . . . . 0.0 112.719 -173.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -122.96 23.4 9.34 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.587 177.106 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.4 -24.54 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 121.379 0.609 . . . . 0.0 109.424 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -84.51 160.45 20.51 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.332 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -90.55 112.53 24.25 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.535 0.683 . . . . 0.0 111.119 -176.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.0 mt -94.23 -175.74 3.76 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.145 177.655 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.08 164.58 25.91 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.202 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -85.05 70.0 10.86 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.871 0.843 . . . . 0.0 110.648 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.126 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 64.3 73.42 0.43 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.293 -178.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -105.33 -47.64 3.9 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.008 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -93.11 -41.61 9.85 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 N--CA 1.425 -1.695 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.926 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 113.35 3.46 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.0 mtm -81.52 -1.55 46.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -175.29 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.17 65.84 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 170.535 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.99 -36.19 77.56 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.981 -0.61 . . . . 0.0 109.98 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' B' ' 10' ' ' ILE . 2.6 tm? -60.95 -45.32 95.21 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.532 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -38.14 89.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.727 0.411 . . . . 0.0 109.999 177.457 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.61 -42.27 98.64 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.649 0.78 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.69 -37.24 82.02 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.689 176.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 6' ' ' LEU . 64.4 mt -59.63 -51.07 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.136 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 63.1 mm-40 -54.62 -52.57 61.84 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 123.619 0.574 . . . . 0.0 110.084 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.82 -45.07 90.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.614 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' B' ' 13' ' ' LYS . 0.7 OUTLIER -70.22 -40.5 74.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.7 -175.701 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' B' ' 42' ' ' ILE . 34.2 ttpt -57.87 -46.35 84.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.323 175.201 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 30.3 mtpp -66.92 -41.41 87.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.826 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.1 mt-10 -58.37 -36.11 72.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 174.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.4 tp -68.55 -48.3 64.64 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.951 176.575 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.3 mt -53.36 -44.83 55.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 123.722 0.639 . . . . 0.0 110.248 179.723 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.34 -33.11 73.07 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.562 0.539 . . . . 0.0 111.292 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 88.9 mt -74.2 -46.9 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.273 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 17' ' ' LEU . 38.8 t -58.84 -38.27 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-O 121.394 0.616 . . . . 0.0 109.663 175.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -66.11 -49.41 67.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.025 0.93 . . . . 0.0 111.803 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 7.7 ptm180 -69.67 -6.33 30.83 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.909 0.385 . . . . 0.0 111.952 -177.754 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 29.0 t-80 -67.52 -35.87 79.92 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.233 174.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.03 -5.99 0.27 Allowed Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.753 -1.213 . . . . 0.0 112.718 -177.145 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -59.27 141.7 53.73 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 31' ' ' VAL . 27.0 m-20 -88.76 175.39 7.51 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.49 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 t-80 -56.93 -39.79 75.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.172 0.442 . . . . 0.0 110.637 -176.751 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.1 t70 -54.26 -47.31 72.43 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 124.538 1.135 . . . . 0.0 110.594 176.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 27.4 mmtm -65.23 -37.77 88.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.4 -178.008 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 27' ' ' ASP . 20.2 t -68.33 -39.21 80.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.1 mt -63.48 -57.69 9.41 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.828 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 61.8 mt -62.84 -37.09 85.43 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.529 -175.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.6 -50.75 63.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.751 178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.3 p -60.31 -38.38 83.52 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 93.9 mtt180 -65.53 -51.97 56.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.214 0.606 . . . . 0.0 111.21 178.79 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.05 -36.32 77.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.602 -174.392 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.6 -44.04 87.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.614 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.53 -48.53 81.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.086 -178.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -57.9 -42.83 85.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.522 177.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.2 -45.23 95.45 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.5 mt -66.26 -50.77 65.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.592 -179.448 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.28 -37.29 64.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.215 0.606 . . . . 0.0 111.159 178.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.86 -51.46 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.124 176.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.42 -33.17 64.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.164 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 36.8 mtp -70.89 -9.16 57.18 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.333 0.587 . . . . 0.0 109.769 179.005 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.0 t30 69.62 46.02 0.75 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.168 1.787 . . . . 0.0 110.575 178.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.16 110.14 27.32 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.848 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -95.33 100.27 12.08 Favored 'General case' 0 C--N 1.272 -2.8 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -119.9 116.14 25.21 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.662 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -145.86 19.24 1.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 168.39 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.0 -21.39 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.824 -175.221 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -91.61 -19.59 22.54 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.041 175.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -156.85 123.49 5.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -177.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.4 102.21 0.02 OUTLIER 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.158 1.783 . . . . 0.0 115.519 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.08 -51.73 65.48 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.052 179.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -95.37 76.86 3.39 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-O 122.126 0.965 . . . . 0.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -149.28 99.25 2.91 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.47 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -154.52 -47.57 0.09 Allowed 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.454 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -178.61 138.7 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.177 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -132.45 164.66 26.06 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.813 179.535 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 C--N 1.287 -2.14 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 173.099 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.68 154.5 17.3 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 -177.326 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.629 -175.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.54 -46.07 95.09 Favored Glycine 0 C--O 1.239 0.467 0 O-C-N 123.481 0.488 . . . . 0.0 112.056 178.116 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -79.5 -28.88 41.42 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.136 -179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.83 -43.51 92.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -59.83 -39.91 86.68 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.991 175.228 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -62.38 -41.98 99.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.726 0.641 . . . . 0.0 109.601 178.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.08 -49.84 75.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 177.2 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.1 mt -57.58 -49.38 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.522 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 50.1 mt-10 -59.27 -51.63 69.15 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 123.697 0.623 . . . . 0.0 110.944 178.597 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.62 -44.91 90.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 123.146 0.578 . . . . 0.0 111.783 -178.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -67.14 -41.5 86.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -178.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.8 ttpt -56.9 -46.92 81.59 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 124.735 1.214 . . . . 0.0 109.294 173.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -66.87 -37.01 83.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -178.823 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.48 -36.46 78.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.415 174.324 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HB2' ' HG3' ' B' ' 13' ' ' LYS . 1.4 tm? -72.14 -44.95 62.32 Favored 'General case' 0 N--CA 1.426 -1.675 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.4 mt -58.29 -40.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.414 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.45 -32.97 74.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.049 177.175 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.78 -50.45 35.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.958 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.0 t -61.37 -34.24 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-O 121.388 0.613 . . . . 0.0 110.521 177.217 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -50.41 57.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.12 -19.24 64.26 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 123.358 0.411 . . . . 0.0 111.598 -177.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -54.46 -41.09 69.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 174.143 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.23 37.98 0.13 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.411 -178.134 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 16.6 mt -83.74 149.48 26.43 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 121.745 0.783 . . . . 0.0 111.516 178.005 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.7 m-20 -74.28 161.44 29.9 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 174.145 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -59.75 -39.54 85.12 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.593 0.711 . . . . 0.0 109.648 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.1 m-20 -65.37 -27.05 68.3 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.54 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 34.1 mmtp -75.7 -46.21 32.52 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -177.166 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.21 -43.79 86.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 123.892 0.745 . . . . 0.0 109.648 178.144 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 29' ' ' ASP . 3.8 pp -69.65 -40.33 76.55 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.502 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.5 mt -69.44 -38.97 78.07 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.833 0.349 . . . . 0.0 110.558 179.035 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -64.6 -52.43 57.58 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 p -59.38 -37.54 78.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.55 -36.34 63.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.7 -44.03 52.14 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.63 -48.93 71.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.312 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.23 -38.26 86.0 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.875 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.84 -36.92 67.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.945 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.12 -42.26 90.18 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.654 ' O ' ' HG3' ' A' ' 46' ' ' MET . 69.5 mt -64.63 -57.25 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.248 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -51.81 -40.01 59.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 0.0 111.647 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.38 -50.72 72.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 111.128 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.88 -38.3 73.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 178.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 57.5 mtp -63.99 -41.96 97.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.349 0.595 . . . . 0.0 109.534 -179.214 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 t30 70.71 64.26 0.19 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.686 -173.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.31 133.82 52.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 CA-C-N 113.585 -1.643 . . . . 0.0 107.174 175.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -117.95 6.5 12.19 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.046 -172.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -108.42 105.3 14.91 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -113.95 8.16 17.11 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 122.234 1.016 . . . . 0.0 109.784 178.455 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.28 164.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.984 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -96.75 58.47 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 122.071 0.939 . . . . 0.0 110.592 177.783 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -142.36 86.88 1.98 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.078 -1.419 . . . . 0.0 107.571 175.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.04 157.79 35.48 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 70.67 101.75 0.06 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.169 0.918 . . . . 0.0 112.26 -176.769 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -87.22 -169.72 2.74 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.678 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -92.09 99.79 12.54 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.346 -176.036 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 67.41 118.98 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.705 1.602 . . . . 0.0 114.496 178.304 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -125.38 178.49 5.58 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -82.52 114.98 21.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 . . . . . 0 C--N 1.302 -1.488 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.184 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 CA--C 1.515 -0.385 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -104.69 98.6 8.33 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -77.57 -23.86 49.9 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -173.542 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 -47.35 49.83 Favored Glycine 0 C--O 1.243 0.711 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 84.1 mt-30 -66.74 -37.65 85.07 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.145 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.13 -44.87 92.07 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.71 177.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 1.1 mmmt -60.7 -39.31 88.03 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 176.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -69.45 -33.98 73.73 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.246 0.341 . . . . 0.0 110.513 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 68.0 mttm -59.43 -46.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.868 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.47 -47.13 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.717 177.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 28.1 mm-40 -55.8 -50.26 70.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.69 0.619 . . . . 0.0 110.386 177.327 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -57.72 -48.4 79.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.434 0.458 . . . . 0.0 111.445 177.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 17' ' ' LEU . 13.7 tppt? -65.85 -44.01 86.74 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.463 0.477 . . . . 0.0 110.786 -176.602 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.9 ttpt -55.04 -51.66 65.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 125.089 1.356 . . . . 0.0 108.613 174.665 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.3 mtpm? -63.06 -39.72 95.57 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.837 -179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -57.81 -45.37 86.2 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.268 0.556 . . . . 0.0 110.062 175.686 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -42.95 90.04 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.145 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 81.0 mt -59.01 -41.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 75.9 mt-30 -62.53 -32.51 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.638 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.0 mt -72.52 -50.19 27.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.5 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.2 m -63.21 -26.35 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.814 175.575 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.35 66.47 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.341 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -71.97 -6.97 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 111.34 -179.11 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.0 t60 -67.81 -28.71 67.81 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 171.561 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.92 44.7 0.29 Allowed Glycine 0 N--CA 1.431 -1.655 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.094 178.135 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.0 mt -86.9 156.41 19.84 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.054 175.484 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.5 m-20 -67.81 157.78 33.99 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 169.461 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.616 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.2 t-80 -61.06 -35.74 77.73 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.241 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.22 -41.0 96.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.056 176.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.668 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.9 mmtm -61.94 -44.1 97.48 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.688 178.424 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 27' ' ' ASP . 26.5 t -60.12 -43.84 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 76.3 mt -62.54 -46.01 90.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.207 179.114 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -36.85 76.38 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -68.54 -49.16 61.66 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.538 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 ptm180 -67.09 -35.55 80.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.503 -178.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.79 -46.54 62.68 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.26 -40.93 83.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.763 179.04 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.79 -47.66 76.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.35 177.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' B' ' 40' ' ' LYS . 11.3 mptt -69.48 -32.76 71.86 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.9 -42.35 77.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.37 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.93 -50.19 50.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.649 179.61 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.93 -25.91 65.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 111.767 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.18 -55.15 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 175.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.76 -27.21 63.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.868 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.06 -12.93 61.96 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.984 176.439 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t30 67.39 19.99 10.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.545 173.641 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.431 ' HB ' ' C ' ' B' ' 62' ' ' HIS . 17.6 m -88.82 115.17 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.632 0 CA-C-O 122.433 1.111 . . . . 0.0 109.195 -179.274 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -97.06 110.12 22.73 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.754 -172.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' CE1' ' B' ' 61' ' ' HIS . 3.9 t70 -46.99 105.02 0.06 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.914 168.524 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -102.83 16.02 27.72 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.446 -172.435 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.38 172.44 15.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.659 -175.378 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -116.21 89.65 3.16 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.031 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -130.69 143.14 50.54 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 -172.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.78 172.3 9.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 6.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -59.45 -40.3 86.42 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 168.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -110.28 93.54 4.55 Favored 'General case' 0 N--CA 1.414 -2.258 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.422 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -110.05 163.93 13.1 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.786 -175.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.0 m80 68.39 89.9 0.1 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.627 1.204 . . . . 0.0 108.64 -174.829 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' B' ' 50' ' ' ASP . 28.9 p80 -116.84 -172.87 2.28 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.097 -174.555 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 62' ' ' HIS . . . . . 0.431 ' C ' ' HB ' ' B' ' 48' ' ' VAL . 43.3 p-80 . . . . . 0 N--CA 1.431 -1.393 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 CA--C 1.513 -0.47 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.17 83.97 0.07 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 124.806 1.242 . . . . 0.0 112.518 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 22.1 mmt -69.48 -14.36 62.84 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.336 -175.536 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.71 -50.94 33.0 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 176.344 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.09 -38.3 82.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 3.0 tm? -60.49 -46.2 90.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.004 177.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.5 OUTLIER -60.99 -40.16 92.4 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 177.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.17 -35.63 80.98 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.379 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.81 -45.13 87.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.159 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 20' ' ' LEU . 48.7 mt -55.32 -47.5 77.83 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.214 174.232 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 38.0 mm-40 -55.19 -52.98 61.58 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 123.65 0.594 . . . . 0.0 110.887 177.537 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.91 -47.64 84.27 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 123.438 0.461 . . . . 0.0 111.999 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -68.49 -38.93 81.43 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -175.287 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.7 ttpt -59.85 -48.85 80.03 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 124.381 1.072 . . . . 0.0 109.026 174.841 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 28.9 mtpp -64.04 -42.79 96.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 42.2 mt-10 -56.78 -39.63 74.41 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 0.0 109.751 175.609 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.56 -46.12 67.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.482 179.386 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 14' ' ' LYS . 87.5 mt -55.03 -42.37 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -178.724 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 91.8 mt-30 -62.19 -38.41 89.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.343 178.389 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 97.3 mt -70.04 -46.93 63.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.9 t -62.22 -41.43 91.39 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.975 174.884 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.97 -51.73 68.42 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.518 0.727 . . . . 0.0 111.848 -179.296 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -64.87 -18.32 65.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.43 -177.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 40.1 t-80 -58.64 -30.91 67.66 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.661 0.601 . . . . 0.0 111.132 176.284 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.05 0.41 0.18 Allowed Glycine 0 C--O 1.227 -0.306 0 C-N-CA 119.079 -1.534 . . . . 0.0 113.973 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 21' ' ' VAL . 9.6 mp -66.03 161.93 20.54 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 121.59 0.71 . . . . 0.0 112.089 177.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.6 m-20 -107.02 175.29 5.55 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.019 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 7.7 p80 -54.31 -47.71 72.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.678 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 p-10 -58.7 -38.78 79.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -68.1 -39.56 82.79 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.619 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 27' ' ' ASP . 44.4 t -64.43 -41.77 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 88.7 mt -61.37 -50.93 70.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.621 177.148 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 95.8 mt -60.11 -46.6 89.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.126 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' HD22 ' B' ' 41' ' ' LEU . 79.9 t80 -62.04 -51.85 66.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 p -62.69 -38.67 91.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -72.75 -37.95 67.53 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.586 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.69 -40.38 72.94 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.9 -42.64 99.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.219 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.48 -44.41 97.15 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.184 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.29 -38.25 90.39 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.14 -41.36 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.129 0.49 . . . . 0.0 110.063 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.63 -45.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.217 177.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -59.42 -29.12 67.52 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.051 178.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.45 -49.73 62.36 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 123.742 0.817 . . . . 0.0 111.138 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -77.07 -33.23 57.16 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.16 -31.03 63.99 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.577 0.703 . . . . 0.0 109.617 177.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.48 -170.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -84.03 120.14 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.337 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 178.65 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -111.55 111.8 23.07 Favored 'General case' 0 N--CA 1.386 -3.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.679 -179.263 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' OD2' HG22 ' A' ' 52' ' ' VAL . 27.4 t70 -61.1 119.61 8.68 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 103.907 -2.627 . . . . 0.0 103.907 167.031 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.365 42.3 pttt -64.29 12.41 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 119.45 3.13 . . . . 0.0 119.45 -164.465 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 ' OD2' ' A' ' 50' ' ' ASP . 33.2 m -107.37 -11.81 10.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 171.363 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -85.4 121.14 27.69 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -75.46 -170.76 1.31 Allowed 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 123.854 0.861 . . . . 0.0 111.953 -174.622 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -90.7 105.61 17.94 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.605 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.23 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.601 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -52.05 -34.5 43.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -86.2 -8.26 57.94 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.503 0.668 . . . . 0.0 110.116 -175.021 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -81.92 -24.26 35.74 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 172.316 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m80 70.37 -70.93 0.14 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 125.316 1.447 . . . . 0.0 109.134 -177.718 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -146.24 -61.65 0.31 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 176.285 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.711 0.291 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.81 115.82 25.54 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -176.348 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp -83.94 0.6 47.23 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.66 -173.38 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.39 -36.65 84.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.92 -32.4 69.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.264 0.554 . . . . 0.0 110.265 177.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.86 -47.04 76.25 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -34.85 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.65 -40.48 97.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.789 177.426 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.72 -36.75 76.17 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.166 176.333 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.79 -51.62 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -56.54 -50.37 72.08 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.652 0.595 . . . . 0.0 110.217 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -55.26 -47.57 75.27 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.181 0.593 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.74 -41.77 78.52 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 123.627 0.579 . . . . 0.0 110.129 -175.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.551 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.1 ttpt -56.25 -50.23 71.91 Favored 'General case' 0 C--O 1.21 -0.974 0 C-N-CA 124.228 1.011 . . . . 0.0 108.734 174.734 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 18' ' ' ILE . 28.9 mtpp -63.81 -36.28 83.38 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.316 0.646 . . . . 0.0 112.005 -179.159 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.43 -45.04 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 109.31 174.664 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -67.46 -42.67 82.65 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.739 -179.307 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.4 mt -56.91 -40.17 70.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 -178.269 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.87 -36.38 83.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.0 mp -65.36 -51.81 57.94 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 16.8 t -62.1 -32.26 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 CA-C-O 121.6 0.714 . . . . 0.0 110.477 175.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.43 -48.91 68.49 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.675 179.164 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -69.5 -8.43 46.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.971 0.508 . . . . 0.0 112.042 -178.851 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 34.9 t60 -63.38 -43.85 96.42 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 171.803 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.6 39.41 0.08 OUTLIER Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 120.388 -0.911 . . . . 0.0 111.834 -178.634 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.7 mt -85.81 148.83 25.64 Favored 'General case' 0 CA--C 1.479 -1.778 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.698 176.771 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 158.56 28.88 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 172.455 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.554 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 42.7 m-70 -59.8 -33.64 72.0 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.09 -33.91 65.88 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.144 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 63.1 mmtt -62.72 -41.44 99.16 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.73 178.101 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.6 -42.38 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 87.4 mt -64.2 -48.41 76.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.041 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.63 -41.44 88.32 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.52 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 76.0 t80 -62.16 -50.67 70.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -57.52 -43.25 84.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.354 0.409 . . . . 0.0 111.968 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.575 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 14.0 ptm180 -79.53 -19.82 48.64 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.412 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.47 -35.0 23.29 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.533 179.127 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 6.9 tt -72.38 -32.94 66.85 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.045 -0.979 . . . . 0.0 108.566 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.17 -44.5 95.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.96 177.191 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.3 mttp -53.46 -47.3 69.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.319 177.152 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -59.63 -48.72 80.55 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.152 -175.643 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.1 mt -61.07 -56.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.216 -179.194 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -52.93 -40.45 63.63 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 123.74 0.65 . . . . 0.0 110.755 -179.115 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 48' ' ' VAL . 23.7 ttmm -56.68 -49.55 74.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.453 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -79.86 -20.67 45.39 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -178.079 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 80.5 mtp -66.24 -48.4 70.64 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.139 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.423 ' H ' ' H ' ' B' ' 48' ' ' VAL . 14.4 t-20 -174.89 -11.7 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' B' ' 44' ' ' LYS . 22.1 t -95.78 70.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 CA-C-O 123.089 1.423 . . . . 0.0 107.899 -175.352 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -116.75 -5.11 11.58 Favored 'General case' 0 C--N 1.266 -3.043 0 CA-C-N 112.984 -1.916 . . . . 0.0 114.307 -166.024 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -109.83 78.8 1.15 Allowed 'General case' 0 C--N 1.273 -2.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 112.189 -174.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt 45.4 23.31 0.12 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 127.39 2.276 . . . . 0.0 115.611 177.487 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.411 HG23 ' CG1' ' B' ' 48' ' ' VAL . 16.4 m -108.63 129.46 63.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.11 178.302 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -90.69 -42.26 10.83 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -84.83 121.12 27.25 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.883 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.565 HD12 ' O ' ' B' ' 55' ' ' LEU . 4.3 pp -83.11 119.7 24.84 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 173.046 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.29 72.7 1.85 Allowed 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 122.368 1.08 . . . . 0.0 109.742 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -145.51 94.83 2.56 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.86 -1.973 . . . . 0.0 106.37 178.253 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -111.0 121.96 46.68 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.221 -177.68 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -83.67 108.19 16.59 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -87.98 125.4 34.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.092 0.472 . . . . 0.0 110.394 176.79 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -102.2 -33.14 9.76 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.707 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.306 -1.324 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.255 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtm . . . . . 0 CA--C 1.512 -0.496 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.44 111.12 18.76 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.59 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.3 mtp -84.27 -16.73 42.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.594 -174.501 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.35 -48.4 58.33 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 178.48 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.56 -36.07 79.58 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.982 0.513 . . . . 0.0 110.327 175.471 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.68 -47.62 80.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 4.0 mmmt -63.2 -36.78 84.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.45 177.391 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.965 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -68.71 -34.97 76.54 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 175.289 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.95 -47.19 94.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 176.403 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 27.5 mm-40 -55.47 -47.71 75.67 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.639 0.587 . . . . 0.0 110.211 175.52 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.01 -46.44 89.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.576 -179.143 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -69.27 -38.5 78.43 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.89 0.376 . . . . 0.0 110.615 -176.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -54.46 -52.44 61.84 Favored 'General case' 0 C--O 1.216 -0.691 0 C-N-CA 124.967 1.307 . . . . 0.0 108.532 174.148 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 18' ' ' ILE . 27.5 mtpp -62.87 -39.45 94.47 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.319 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 20' ' ' LEU . 8.1 mm-40 -55.22 -47.89 74.69 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 174.671 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.34 -43.76 85.17 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.581 179.291 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 80.3 mt -55.57 -38.58 50.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.401 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 48.4 mt-30 -58.88 -42.65 90.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.309 176.079 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' B' ' 10' ' ' ILE . 2.6 mm? -67.22 -45.6 76.34 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.024 178.388 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.7 t -64.05 -39.3 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.087 177.823 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -46.68 81.79 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 122.814 0.446 . . . . 0.0 111.953 -178.73 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 14.9 ptm180 -65.85 -18.43 65.33 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.687 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.7 t-80 -57.7 -35.03 70.07 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 174.643 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.56 6.5 0.61 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.485 -1.34 . . . . 0.0 114.768 178.235 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -57.17 149.77 19.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 178.015 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.9 m-20 -73.78 174.06 8.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.203 176.015 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -65.37 -42.27 92.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.572 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -69.48 -32.77 71.88 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.423 -178.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 43.4 mmtm -62.88 -43.3 99.16 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.9 t -63.67 -37.69 80.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.76 -50.14 63.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.487 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.7 -45.43 92.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.06 -51.13 69.22 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.885 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -62.05 -40.68 96.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.399 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 13.9 ptm180 -74.19 -32.61 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.173 -178.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.82 -44.48 61.42 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 42' ' ' ILE . 22.1 tp -56.63 -45.51 81.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.97 177.111 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -60.48 -41.47 94.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.887 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 67.4 mttm -66.94 -42.73 84.79 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.444 178.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.19 -44.12 87.89 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.7 ' O ' ' HG3' ' A' ' 46' ' ' MET . 61.4 mt -62.77 -56.81 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.479 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -52.86 -33.73 51.12 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 122.887 0.475 . . . . 0.0 112.258 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -59.4 -49.95 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.506 0.722 . . . . 0.0 110.33 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' B' ' 26' ' ' LEU . 33.6 m-85 -78.72 -30.02 45.67 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.496 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.7 mtp -67.49 -27.58 67.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.211 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 65.99 71.86 0.41 Allowed 'General case' 0 C--O 1.245 0.853 0 C-N-CA 124.769 1.228 . . . . 0.0 109.11 -175.604 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.29 140.62 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.368 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.791 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -141.15 74.36 1.46 Allowed 'General case' 0 C--N 1.28 -2.435 0 CA-C-O 122.187 0.994 . . . . 0.0 109.747 -177.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' HG22 ' A' ' 52' ' ' VAL . 7.5 m-20 -107.09 159.87 15.98 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.948 -177.685 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -100.27 -0.62 38.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.398 0.618 . . . . 0.0 110.502 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 50' ' ' ASP . 26.6 m -86.89 110.31 20.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.156 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.295 -179.101 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -80.38 113.32 18.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 175.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.29 93.58 2.39 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.689 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.51 79.53 8.92 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.971 1.367 . . . . 0.0 109.906 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.69 -40.24 63.78 Favored 'General case' 0 C--N 1.273 -2.753 0 CA-C-N 112.216 -2.266 . . . . 0.0 108.175 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -119.25 104.09 10.09 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.396 176.765 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -161.9 -59.9 0.05 OUTLIER 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.036 -179.172 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -92.28 94.6 9.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 -177.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -100.52 -64.56 1.03 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.347 179.402 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -154.14 133.82 12.91 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.167 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.0 m170 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 175.313 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 CA--C 1.496 -1.103 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -76.81 99.04 5.01 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.443 0.639 . . . . 0.0 109.925 179.565 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptm -72.89 -15.29 61.59 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.543 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.9 91.01 Favored Glycine 0 C--O 1.222 -0.603 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.643 178.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 77.5 mt-30 -77.89 -23.08 48.85 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.282 0.563 . . . . 0.0 110.051 179.27 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.9 -46.87 50.32 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 174.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -60.84 -39.69 90.02 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.258 175.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.32 -41.23 84.1 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 123.566 0.542 . . . . 0.0 110.664 178.123 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 62.1 mttp -69.3 -39.14 78.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.518 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 20' ' ' LEU . 61.3 mt -59.78 -51.29 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.728 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -58.0 -52.54 65.08 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.396 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -56.09 -49.99 72.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.12 0.968 . . . . 0.0 112.518 -178.412 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 1.4 tppp? -69.48 -39.8 77.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.551 -176.424 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.406 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.0 ttpt -57.57 -50.04 74.41 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 123.825 0.85 . . . . 0.0 108.863 173.752 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -58.45 -39.52 80.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.688 0.795 . . . . 0.0 112.227 179.024 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -64.22 -39.83 94.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.679 0.276 . . . . 0.0 111.425 175.484 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -66.05 -44.78 83.58 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 176.702 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' SER . 85.3 mt -57.97 -42.15 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.624 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.97 -24.91 67.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.711 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.5 -51.26 8.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.945 178.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' B' ' 34' ' ' PHE . 11.9 m -62.82 -28.97 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.304 176.018 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.08 -42.28 94.27 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.556 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -79.25 -7.19 58.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -67.48 -29.55 69.02 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.751 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.52 -11.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.762 -1.208 . . . . 0.0 113.207 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.66 140.16 36.41 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.523 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 13.2 m-20 -79.19 165.53 23.18 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 113.567 -1.651 . . . . 0.0 106.651 175.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.469 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.3 t-80 -54.37 -43.88 71.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.125 0.488 . . . . 0.0 110.643 178.795 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.64 -41.03 98.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 32.9 mmtm -56.87 -46.06 82.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.958 176.783 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 54.7 t -60.59 -44.14 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.128 -178.1 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.2 mt -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' B' ' 21' ' ' VAL . 86.2 t80 -58.7 -52.14 66.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.463 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.3 p -59.32 -41.2 88.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.032 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 12.0 ptm180 -76.77 -33.83 58.04 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.74 -178.218 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.07 -39.93 75.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.253 1.025 . . . . 0.0 108.594 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.66 -36.48 83.79 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.717 176.748 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.55 -47.68 82.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.364 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.8 mtpt -54.95 -42.83 72.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.277 177.517 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.99 -42.42 99.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.623 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.3 mt -66.11 -50.0 72.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.829 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.02 -33.31 56.89 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.342 1.057 . . . . 0.0 111.767 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.28 -51.81 67.35 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.471 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -77.04 -26.2 53.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.623 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.9 mtp -77.81 -19.66 54.59 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 175.508 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 64.3 t30 64.71 63.29 0.73 Allowed 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 125.855 1.662 . . . . 0.0 110.843 -175.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' B' ' 46' ' ' MET . 49.1 t -105.29 99.75 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -109.59 -8.65 14.95 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -119.56 108.9 15.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.83 -175.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -146.13 21.78 1.39 Allowed 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.916 173.678 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.74 173.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.624 -175.719 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -55.49 -44.06 76.18 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.307 0.643 . . . . 0.0 112.6 -179.278 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -162.87 137.45 6.45 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.099 -176.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.6 121.21 26.52 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 172.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 82.97 1.71 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.452 0.644 . . . . 0.0 112.613 -175.272 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.72 166.19 12.73 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.908 177.23 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 72.73 30.82 1.74 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 123.061 1.41 . . . . 0.0 108.501 -175.046 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -88.89 -15.86 33.35 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.586 178.127 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -90.08 135.86 33.4 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.939 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -117.1 114.23 23.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 176.614 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 . . . . . 0 C--N 1.286 -2.182 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.928 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 120.809 0.338 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.557 ' OE1' ' HG3' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -98.31 119.19 36.55 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -177.086 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptp -66.01 -30.77 71.37 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -173.939 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.72 -42.53 79.38 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.76 -177.663 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.557 ' HG3' ' OE1' ' A' ' 2' ' ' GLU . 46.1 mt-30 -69.22 -29.28 67.2 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.897 -0.178 . . . . 0.0 111.207 177.409 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.65 -47.21 84.71 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.733 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HE2' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.96 -40.14 94.55 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.161 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -60.37 -40.48 90.94 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.182 0.593 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.98 -39.54 83.29 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.663 176.594 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.658 HG12 ' HB3' ' B' ' 20' ' ' LEU . 82.7 mt -56.65 -45.33 82.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 172.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 8.0 mm-40 -57.44 -52.35 65.75 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 123.721 0.638 . . . . 0.0 109.676 176.919 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.11 -45.72 86.77 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.174 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 14.8 tppt? -67.88 -43.36 79.55 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.655 0.782 . . . . 0.0 110.961 -176.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 18' ' ' ILE . 35.1 ttpt -55.1 -49.96 70.38 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.102 1.361 . . . . 0.0 108.811 175.449 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -64.47 -40.17 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 20' ' ' LEU . 47.3 mt-10 -55.64 -44.91 77.58 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 109.577 175.112 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.77 -42.88 81.03 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.867 -178.143 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 14' ' ' LYS . 68.6 mt -57.84 -39.33 70.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.137 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 88.7 mt-30 -62.09 -41.29 98.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.079 177.177 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.2 mm? -62.64 -49.95 73.13 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.725 176.789 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.565 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.7 m -66.72 -32.15 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 118.943 -1.103 . . . . 0.0 111.808 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.93 82.84 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.082 -0.386 . . . . 0.0 111.82 -178.088 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -75.79 -18.74 59.4 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.264 178.738 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 39.9 t-80 -56.73 -46.7 81.17 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.02 0.438 . . . . 0.0 110.2 176.255 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 6.56 0.08 OUTLIER Glycine 0 N--CA 1.434 -1.484 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.512 -178.075 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.58 0.705 . . . . 0.0 112.453 173.744 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.7 m-20 -73.68 171.14 13.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.713 178.432 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -60.14 -47.06 87.5 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.337 0.589 . . . . 0.0 110.194 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 6.6 p-10 -64.2 -34.44 78.09 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.1 -44.05 93.49 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.506 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.6 t -61.16 -40.38 85.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.64 -54.36 28.74 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.298 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.5 mt -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.172 -177.253 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.86 -50.42 70.98 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 123.572 0.545 . . . . 0.0 110.495 178.398 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -59.66 -37.24 78.2 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.685 0.279 . . . . 0.0 111.517 -178.714 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -66.99 -50.35 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.288 0.635 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.06 -41.84 77.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.968 -176.362 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.45 -48.77 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.8 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.52 -43.43 98.88 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.077 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.99 -39.98 96.38 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 124.252 1.021 . . . . 0.0 110.964 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.81 -40.67 95.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.6 mt -65.58 -54.0 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.721 179.162 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -55.05 -34.9 63.94 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.43 -49.73 76.66 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.381 0.61 . . . . 0.0 109.908 177.864 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.65 -33.21 53.53 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.45 -178.386 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 27.3 mtp -74.13 -24.55 59.44 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.282 0.563 . . . . 0.0 110.007 -179.63 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.1 t30 69.88 14.42 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.667 1.187 . . . . 0.0 110.196 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 46' ' ' MET . 32.5 m -82.44 115.24 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 122.377 1.084 . . . . 0.0 110.319 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -133.93 14.06 3.96 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.855 -176.612 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' OD2' HG22 ' A' ' 52' ' ' VAL . 8.0 p-10 -123.66 154.86 38.78 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.341 -176.685 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -129.44 43.58 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.756 0.788 . . . . 0.0 109.973 -177.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG22 ' OD2' ' A' ' 50' ' ' ASP . 32.7 m -80.2 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.946 -177.141 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -65.94 -43.57 87.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.169 0.985 . . . . 0.0 108.589 175.581 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -133.14 113.24 12.5 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 173.638 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -83.12 91.98 7.33 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.782 -174.273 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -42.81 33.01 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 172.367 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 60' ' ' HIS . 90.3 m-70 -95.06 105.11 17.0 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 173.589 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -94.54 -40.75 9.7 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -172.09 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -79.09 -63.01 1.52 Allowed 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.431 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' ' 57' ' ' HIS . 44.5 m170 -141.39 161.39 38.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.396 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.49 144.09 36.04 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.721 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 . . . . . 0 C--N 1.295 -1.799 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.942 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 120.437 0.16 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.455 ' OE2' ' HG3' ' B' ' 5' ' ' GLN . 1.1 tm-20 -75.88 110.77 10.6 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.018 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.6 mtm -117.07 23.86 11.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 -179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 -39.13 41.85 Favored Glycine 0 N--CA 1.44 -1.036 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.455 ' HG3' ' OE2' ' B' ' 2' ' ' GLU . 27.6 mt-30 -74.47 -33.81 62.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.317 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.18 -46.81 87.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.034 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.461 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 2.9 mmmt -64.19 -34.21 77.55 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.044 176.318 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -66.03 -32.31 73.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.066 0.46 . . . . 0.0 109.904 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.79 -42.55 73.62 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.263 173.902 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' A' ' 20' ' ' LEU . 77.9 mt -59.81 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.409 177.214 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 22.6 mm-40 -56.81 -46.07 81.83 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.825 176.784 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.01 -45.04 94.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.8 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -67.54 -42.9 81.96 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 123.236 0.335 . . . . 0.0 110.491 -177.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.525 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -54.43 -51.12 65.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.639 1.176 . . . . 0.0 108.611 175.155 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.38 -36.63 82.9 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.5 -43.91 97.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.235 0.541 . . . . 0.0 109.838 175.571 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -67.06 -44.39 80.24 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.942 -178.837 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 65.4 mt -58.07 -40.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.526 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.46 -37.41 85.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.209 177.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.3 mp -65.7 -54.4 27.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 177.336 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 10.1 m -61.66 -28.95 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.612 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.77 70.92 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -73.1 -8.99 58.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.563 -178.334 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.7 t-80 -61.06 -38.7 87.12 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 37.71 0.1 OUTLIER Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.863 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.1 mt -84.67 147.84 26.72 Favored 'General case' 0 CA--C 1.478 -1.799 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.901 177.328 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.0 m-20 -74.93 160.5 30.52 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 173.102 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 85.7 t60 -51.72 -42.93 62.63 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.583 0.552 . . . . 0.0 110.58 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.8 m-20 -65.57 -38.32 89.2 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.545 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.5 mmtt -62.11 -45.48 93.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.236 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.4 t -60.26 -41.43 86.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.637 178.903 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.9 mt -64.92 -55.69 17.78 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.03 179.458 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.6 mt -60.71 -36.5 78.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.478 -177.277 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.16 -51.7 50.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 177.541 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.403 ' HB3' HD13 ' B' ' 18' ' ' ILE . 21.6 p -62.3 -35.79 80.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.416 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.4 mtt180 -64.96 -52.85 54.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.22 177.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.57 -44.68 96.59 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.094 -177.434 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.4 -45.31 91.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.246 178.005 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.38 -45.37 93.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.187 0.518 . . . . 0.0 109.855 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.0 mtpp -63.19 -48.85 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.641 178.562 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.46 -44.9 85.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.665 0.786 . . . . 0.0 110.974 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.728 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.7 mt -62.49 -59.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.593 179.383 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.39 -34.32 66.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.509 0.506 . . . . 0.0 111.901 -177.635 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.15 -51.87 67.58 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.444 0.698 . . . . 0.0 110.157 177.362 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 25.1 m-85 -70.98 -33.36 70.35 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.688 -179.266 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.728 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 58.6 mtp -64.73 -30.88 71.91 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.495 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 75.19 21.75 1.85 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.227 1.411 . . . . 0.0 110.265 177.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 20.2 m -114.76 130.35 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.753 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -90.95 81.93 5.65 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 121.737 0.78 . . . . 0.0 113.012 -172.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.606 ' CG ' ' H ' ' B' ' 51' ' ' LYS . 34.7 t70 58.51 -168.52 0.13 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 113.02 -1.9 . . . . 0.0 113.327 175.056 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 51' ' ' LYS . . . . . 0.606 ' H ' ' CG ' ' B' ' 50' ' ' ASP . 9.1 ptpp? -89.29 11.26 19.47 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 124.897 1.279 . . . . 0.0 111.231 -174.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.5 m -83.98 84.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-O 122.399 1.095 . . . . 0.0 110.645 178.573 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -141.02 -179.37 6.05 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.309 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -64.66 161.53 17.55 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 123.467 0.479 . . . . 0.0 109.768 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.03 136.44 46.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.69 125.28 23.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -177.606 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -71.74 109.28 5.53 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.323 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -106.85 -2.95 20.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.881 -178.368 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -108.33 109.97 21.42 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.917 0.389 . . . . 0.0 111.873 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -131.46 -54.79 1.02 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 176.671 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 177.95 -49.74 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 177.312 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m80 . . . . . 0 C--N 1.311 -1.091 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.879 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.27 122.83 48.59 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.492 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm -64.41 -28.79 69.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.576 0.75 . . . . 0.0 112.856 -175.463 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.1 -45.86 69.17 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 177.95 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 19.4 mm-40 -63.07 -31.91 73.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.548 0.339 . . . . 0.0 110.961 174.58 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.72 -49.84 69.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.711 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.62 -34.47 77.1 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.853 0.358 . . . . 0.0 110.597 177.448 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -66.15 -41.22 90.68 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 123.454 0.702 . . . . 0.0 109.343 179.576 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.9 mmtm -65.97 -34.76 78.84 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 175.872 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.99 -46.84 92.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.873 175.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 38.7 mm-40 -57.66 -47.27 82.75 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.475 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.72 -53.49 51.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 124.787 1.235 . . . . 0.0 111.497 179.839 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -68.77 -40.02 79.93 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 -175.134 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.1 ttpt -57.81 -49.8 75.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.175 0.99 . . . . 0.0 109.192 175.766 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -65.57 -36.07 82.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.577 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.1 mt-10 -59.29 -44.21 92.5 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 174.054 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.77 -42.45 77.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.714 -178.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -58.57 -43.45 87.21 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.016 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.54 -32.68 73.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.908 177.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.0 mt -69.44 -52.02 30.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.281 177.854 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 26' ' ' LEU . 12.1 m -62.99 -32.38 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.492 175.62 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.95 -46.16 89.04 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 123.062 0.545 . . . . 0.0 111.72 -179.293 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.1 ptp180 -68.92 -18.3 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.868 -179.305 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.5 t-80 -59.28 -32.94 70.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.007 0.523 . . . . 0.0 110.807 175.512 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.69 -13.98 0.51 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.504 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -52.72 141.01 22.12 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 m-20 -80.39 171.04 15.57 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 177.146 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 23.4 t-80 -64.98 -36.08 83.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.156 0.434 . . . . 0.0 110.542 -178.323 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.9 p-10 -62.61 -37.63 87.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 178.711 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -65.38 -41.03 94.17 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.938 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 27' ' ' ASP . 62.1 t -65.2 -39.55 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.691 -179.133 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 mt -62.95 -47.62 82.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 176.462 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 72.8 mt -64.35 -43.7 93.75 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 123.483 0.489 . . . . 0.0 111.265 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.86 -49.16 69.14 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.139 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -60.29 -41.13 92.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.401 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -70.13 -40.64 74.71 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.752 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -74.35 -38.23 63.28 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.125 -179.019 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.05 -45.82 93.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.792 176.386 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.5 -49.27 76.85 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.593 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.6 -33.4 75.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.814 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.39 -40.59 93.66 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.64 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.3 mt -66.48 -53.13 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.853 177.788 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.57 -38.66 60.4 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.367 0.667 . . . . 0.0 110.634 178.123 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -58.03 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.818 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -85.18 -35.63 21.55 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 54.5 mtp -66.29 -28.8 68.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.2 t30 81.66 -12.01 1.01 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.764 2.026 . . . . 0.0 110.558 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -94.78 104.55 15.93 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.767 1.27 . . . . 0.0 108.891 175.017 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -113.05 30.62 7.04 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.53 -175.35 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 70.92 125.65 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 126.425 1.89 . . . . 0.0 110.743 -175.842 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -123.92 14.99 9.28 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.199 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.8 m -106.24 -38.12 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.704 -175.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -134.44 77.01 1.67 Allowed 'General case' 0 CA--C 1.491 -1.308 0 CA-C-O 121.703 0.763 . . . . 0.0 110.761 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -96.78 111.47 23.63 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.084 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 130.89 40.54 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 172.11 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.0 -40.82 67.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.021 0.826 . . . . 0.0 112.081 -174.536 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -96.9 -66.88 0.88 Allowed 'General case' 0 N--CA 1.426 -1.65 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.854 176.04 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 58.78 67.77 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -175.494 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -106.03 111.49 24.14 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.934 -177.188 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -136.1 125.2 24.43 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.041 -178.896 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -95.06 -12.95 25.65 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 174.803 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 . . . . . 0 N--CA 1.427 -1.592 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 177.89 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 CA--C 1.497 -1.088 0 CA-C-O 121.287 0.565 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -142.69 -160.63 1.12 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt 72.27 0.77 3.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.793 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.66 -40.16 85.89 Favored Glycine 0 N--CA 1.434 -1.476 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 24.3 pt20 -76.37 -20.23 57.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.411 0.624 . . . . 0.0 110.73 177.198 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -74.49 -47.49 32.86 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 6.5 mmmt -61.46 -35.49 77.77 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.806 174.573 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 16.1 t-20 -55.04 -50.18 69.73 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.01 176.415 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.93 -35.5 76.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.424 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.36 -51.46 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 123.558 0.536 . . . . 0.0 110.723 176.496 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.1 mm-40 -57.88 -47.84 81.6 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 123.653 0.595 . . . . 0.0 110.905 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.37 -43.46 90.71 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -64.45 -43.44 94.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.259 0.552 . . . . 0.0 109.763 -178.301 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.1 ttpt -54.12 -52.01 62.4 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.119 1.368 . . . . 0.0 108.906 174.765 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.6 mtpm? -60.76 -44.5 96.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.562 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -56.19 -40.03 73.33 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.922 0.392 . . . . 0.0 110.463 176.723 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.412 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -69.36 -44.11 72.25 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.421 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 14' ' ' LYS . 74.6 mt -58.24 -41.73 81.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.743 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 72.0 mt-30 -60.33 -37.48 80.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.17 177.468 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 91.0 mt -68.13 -51.52 45.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.548 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.3 m -63.53 -28.89 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.994 176.912 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.17 -38.05 72.17 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -81.32 0.25 37.92 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.731 178.841 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.0 t-80 -69.27 -34.0 74.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 167.546 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.59 46.59 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.602 177.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.609 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.9 mt -89.63 144.51 25.94 Favored 'General case' 0 CA--C 1.473 -2.006 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.057 178.093 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.428 ' O ' HG23 ' B' ' 31' ' ' VAL . 30.1 m-20 -77.58 164.11 25.65 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.562 173.277 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.593 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 40.6 p-80 -50.65 -44.38 57.46 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 123.772 0.67 . . . . 0.0 112.127 -177.239 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.36 -47.08 79.62 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.741 178.594 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 34.2 mmtp -62.32 -42.71 99.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.436 -176.636 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 27' ' ' ASP . 12.1 t -64.42 -43.99 97.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.662 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.753 ' O ' ' HG2' ' B' ' 36' ' ' ARG . 88.7 mt -60.12 -58.29 9.18 Favored 'General case' 0 CA--C 1.492 -1.256 0 C-N-CA 123.581 0.752 . . . . 0.0 111.313 178.217 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.0 -34.19 75.73 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 123.605 0.566 . . . . 0.0 112.029 -176.512 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 89.1 t80 -72.69 -49.66 29.95 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.806 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.9 p -58.79 -40.54 84.35 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -176.543 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.753 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 9.6 ptm180 -68.41 -48.44 64.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 177.148 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.84 -28.13 58.13 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.131 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.4 ' O ' HG13 ' B' ' 42' ' ' ILE . 20.9 tp -64.12 -43.86 93.99 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 172.562 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.8 -43.81 97.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.616 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 66.8 mttm -63.39 -43.14 98.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.352 178.45 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -40.16 96.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.706 179.006 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' B' ' 46' ' ' MET . 59.1 mt -64.02 -54.53 30.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.954 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -57.42 -34.29 68.77 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -54.19 -45.86 72.27 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.745 0.818 . . . . 0.0 110.095 176.597 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.493 ' HB3' HD21 ' A' ' 26' ' ' LEU . 33.5 m-85 -84.5 -23.11 29.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.809 -178.552 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 34.4 mtp -78.52 -1.33 33.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.177 0.513 . . . . 0.0 109.871 178.133 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 t30 73.4 19.52 3.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.463 1.505 . . . . 0.0 109.825 179.056 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.96 97.53 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.138 0 CA-C-O 122.428 1.109 . . . . 0.0 109.149 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -132.26 28.76 4.37 Favored 'General case' 0 C--N 1.273 -2.76 0 CA-C-N 113.595 -1.639 . . . . 0.0 107.894 -178.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.43 35.45 0.5 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.776 -175.069 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -87.54 26.52 1.25 Allowed 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 124.716 1.207 . . . . 0.0 109.308 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -86.98 171.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.678 -176.704 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -109.81 178.17 4.5 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 176.461 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -77.3 101.47 6.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.813 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.84 165.91 11.71 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.972 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -81.36 11.15 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.377 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 38.9 m80 64.79 -90.46 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.593 1.157 . . . . 0.0 111.925 178.103 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -91.82 91.06 7.76 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.331 0.586 . . . . 0.0 109.726 175.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -67.71 -50.94 54.88 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.392 -176.824 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -155.26 -54.02 0.09 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.235 177.31 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 74.2 t60 65.98 -64.3 0.21 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.788 1.235 . . . . 0.0 109.749 -175.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 176.054 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -59.39 -48.32 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.926 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.7 mmmt -60.5 -35.53 76.18 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.231 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.61 -41.58 96.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.131 0.491 . . . . 0.0 109.732 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.51 -37.69 83.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.237 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.77 -49.11 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.821 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 31.3 mm-40 -54.16 -52.12 62.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 123.684 0.615 . . . . 0.0 110.698 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -56.98 -48.56 78.12 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.728 0.811 . . . . 0.0 112.41 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.99 -41.52 77.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -58.66 -46.23 87.63 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.332 1.053 . . . . 0.0 109.38 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 47.8 mttm -63.94 -41.37 97.63 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 122.818 0.447 . . . . 0.0 111.77 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.38 -37.37 72.56 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.307 0.575 . . . . 0.0 110.138 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -72.05 -44.76 62.83 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.5 mt -55.97 -40.54 63.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.2 mt-30 -58.79 -40.13 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.7 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.96 -48.79 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 17.6 t -62.46 -35.3 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-O 121.327 0.584 . . . . 0.0 110.309 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.93 56.27 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.471 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.89 -18.86 65.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 43.4 t-80 -55.63 -45.8 77.5 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.62 30.93 0.02 OUTLIER Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.358 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 57.3 mt -94.77 144.77 25.37 Favored 'General case' 0 CA--C 1.47 -2.127 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -86.14 170.74 11.91 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 173.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.684 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.4 m80 -60.49 -36.08 77.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -174.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.3 p-10 -64.65 -37.54 87.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 45.5 mmtm -67.84 -44.49 77.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.253 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.8 t -60.14 -43.95 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.31 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 67.1 mt -62.52 -45.75 91.57 Favored 'General case' 0 CA--C 1.508 -0.652 0 C-N-CA 122.5 0.32 . . . . 0.0 111.016 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 92.1 mt -64.88 -46.23 82.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.31 -52.5 64.42 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.2 p -60.17 -39.38 86.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.76 -34.46 62.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 8.7 t70 -72.39 -44.14 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.05 -44.54 78.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.505 175.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.58 -37.59 86.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.069 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -71.46 -35.54 70.89 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.102 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.2 -36.86 85.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.578 0.704 . . . . 0.0 109.327 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.432 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.6 mt -70.9 -46.98 65.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.573 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.34 -33.9 73.08 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.466 0.307 . . . . 0.0 111.457 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.689 0.757 . . . . 0.0 110.846 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.66 -27.61 25.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.575 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mmm . . . . . 0 C--N 1.304 -1.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.691 -175.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -63.82 -36.13 82.9 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.951 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.46 -36.31 75.73 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.009 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.77 -43.97 57.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.521 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.38 -49.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.66 0.6 . . . . 0.0 110.268 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.68 -51.62 68.79 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.722 0.638 . . . . 0.0 111.361 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 43.3 t-20 -59.88 -47.98 83.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.206 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.78 -42.48 95.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.678 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.4 ttpt -55.51 -48.43 74.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.203 1.001 . . . . 0.0 109.001 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.28 -33.1 71.17 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.464 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 45.9 mt-10 -59.58 -42.55 92.78 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 21' ' ' VAL . 12.7 tp -66.92 -49.41 65.64 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.388 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.1 mt -53.71 -45.56 61.08 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 O-C-N 123.685 0.616 . . . . 0.0 110.615 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.93 -28.69 69.12 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.409 0.443 . . . . 0.0 111.794 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 97.9 mt -78.55 -47.92 16.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.376 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.5 t -61.04 -38.11 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 121.638 0.733 . . . . 0.0 109.808 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.104 0.962 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -68.46 -14.4 62.97 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.862 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.5 t60 -67.77 -25.07 65.43 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.816 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.52 -14.51 0.45 Allowed Glycine 0 CA--C 1.494 -1.277 0 C-N-CA 118.923 -1.608 . . . . 0.0 113.022 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.41 135.53 54.06 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-O 121.845 0.831 . . . . 0.0 112.255 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.554 ' O ' HG23 ' B' ' 31' ' ' VAL . 37.9 m-20 -84.92 176.41 8.48 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.374 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.533 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 75.4 m80 -59.84 -41.13 90.73 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.37 -37.46 83.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.903 0.382 . . . . 0.0 110.07 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 62.6 mmtt -60.21 -44.52 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.556 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.0 t -63.7 -43.26 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.3 mt -61.09 -47.16 87.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.88 -51.01 68.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.29 -47.06 86.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.508 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.5 p -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -72.25 -36.42 69.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 111.566 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.5 -30.27 47.09 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.389 0.614 . . . . 0.0 109.798 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.56 -46.16 73.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -53.93 -50.56 66.18 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.653 0.739 . . . . 0.0 109.737 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' B' ' 40' ' ' LYS . 37.2 ttmt -54.21 -44.99 72.11 Favored 'General case' 0 N--CA 1.425 -1.707 0 C-N-CA 126.517 1.927 . . . . 0.0 111.93 178.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.23 -39.47 92.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.655 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.7 mt -65.3 -54.86 23.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.711 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -49.6 -39.05 34.01 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.827 0.851 . . . . 0.0 111.331 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.22 -51.23 70.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.836 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.68 -31.02 52.25 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.655 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 78.0 mtp . . . . . 0 C--N 1.321 -0.638 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 121.822 0.82 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.6 -45.66 86.01 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.684 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -61.93 -36.36 81.16 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 122.859 0.464 . . . . 0.0 111.274 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -59.33 -44.15 92.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.93 -41.21 87.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.877 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.8 mt -57.14 -50.45 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.338 0 O-C-N 123.485 0.491 . . . . 0.0 110.425 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.42 -52.4 64.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 123.694 0.621 . . . . 0.0 111.508 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 20.1 m-80 -59.1 -45.19 91.51 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -70.82 -38.48 73.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.065 0.46 . . . . 0.0 110.148 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -61.74 -47.01 87.17 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 109.662 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 61.2 mtpt -62.43 -40.43 96.55 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.767 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 56.5 mt-10 -58.96 -37.45 76.79 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 123.585 0.553 . . . . 0.0 109.593 175.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.6 tp -69.76 -48.14 60.39 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.842 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.5 mt -54.37 -41.1 51.43 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 O-C-N 123.508 0.505 . . . . 0.0 110.019 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 52.1 mt-30 -58.23 -43.09 87.59 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 123.589 0.556 . . . . 0.0 110.578 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' B' ' 10' ' ' ILE . 95.3 mt -66.27 -48.95 68.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' LEU . 16.5 t -64.61 -35.26 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 121.402 0.62 . . . . 0.0 110.571 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.38 60.45 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.261 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.56 -18.58 65.43 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 123.706 0.629 . . . . 0.0 111.685 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -57.47 -53.87 53.2 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.0 42.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.537 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.665 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 55.6 mt -102.18 143.97 31.31 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.886 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.723 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 2.7 p-10 -85.77 177.62 7.6 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 176.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.671 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.5 t60 -58.37 -38.21 76.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 123.539 0.524 . . . . 0.0 110.418 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.6 t70 -67.43 -39.48 85.44 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.146 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.723 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 33.3 mmtm -67.9 -43.46 79.23 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.068 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.5 t -60.54 -39.13 80.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 74.5 mt -64.93 -53.77 41.26 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.454 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 85.9 mt -60.81 -41.89 96.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.722 0.296 . . . . 0.0 111.706 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.76 -47.55 80.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.876 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -66.5 -33.01 74.73 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.897 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 33' ' ' LEU . 97.0 mtt180 -63.91 -57.28 10.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 122.757 0.423 . . . . 0.0 110.868 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.527 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.7 t70 -72.96 -33.88 66.16 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.077 -171.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.96 -35.98 69.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.096 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.2 -41.02 90.76 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.6 mtpt -58.63 -43.92 89.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.232 174.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.22 -43.38 98.26 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.512 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.664 ' O ' ' HG3' ' A' ' 46' ' ' MET . 63.0 mt -60.51 -53.24 51.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -56.17 -36.79 68.72 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -56.5 -43.66 79.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.975 0.91 . . . . 0.0 108.691 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -85.83 -28.18 24.63 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 91.4 mtp . . . . . 0 CA--C 1.496 -1.118 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.436 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 0.2 OUTLIER -64.03 -35.85 82.07 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.83 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.54 -39.6 91.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.989 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.88 -37.61 84.75 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.166 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 20' ' ' LEU . 65.1 mt -57.37 -49.41 80.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 7' ' ' LYS . 37.8 mt-10 -60.91 -43.81 98.04 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -55.8 -55.3 34.05 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.384 1.073 . . . . 0.0 111.253 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 16.1 tppt? -65.18 -44.91 86.94 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.369 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 25.5 ttpt -57.91 -43.82 86.42 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.679 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.4 mtpm? -63.11 -37.03 85.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 122.406 0.282 . . . . 0.0 111.447 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.47 -41.03 96.6 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.576 0.703 . . . . 0.0 109.879 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -66.76 -46.37 75.56 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.295 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 92.2 mt -54.31 -42.46 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 123.6 0.562 . . . . 0.0 110.111 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.6 mt-30 -63.57 -35.46 80.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.803 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.95 -49.64 35.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' B' ' 26' ' ' LEU . 23.2 t -58.65 -39.17 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -56.33 -55.77 29.27 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.322 0.649 . . . . 0.0 111.449 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -70.35 -4.33 21.71 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.437 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 30.0 t-80 -65.89 -36.85 84.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.67 6.71 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.607 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -64.12 150.71 45.03 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' B' ' 31' ' ' VAL . 11.2 m-20 -75.42 163.79 27.05 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 170.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.516 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.1 m-70 -67.68 -30.53 70.08 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.491 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 2.4 m-20 -68.87 -34.33 75.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.489 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 12.3 mmtp -62.74 -41.94 99.43 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 44.6 t -61.56 -42.69 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.258 0.551 . . . . 0.0 109.561 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 84.2 mt -65.73 -46.08 80.24 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 70.1 mt -70.45 -39.2 74.44 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.842 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -48.61 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.831 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 24.4 p -60.99 -36.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.437 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.48 -51.23 30.57 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.022 0.529 . . . . 0.0 111.34 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -64.77 -35.54 81.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.575 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tt -78.15 -31.12 49.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' B' ' 35' ' ' SER . 19.6 t70 -66.71 -41.14 88.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -61.78 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.983 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.62 -44.31 89.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.274 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.486 HD12 ' HD3' ' B' ' 14' ' ' LYS . 45.0 mt -67.01 -51.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -57.65 -30.62 65.54 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.43 -51.58 62.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.077 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -73.21 -32.07 64.56 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 92.4 mmm . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 15.9 mm-40 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.318 0.104 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.71 -45.19 95.01 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.787 0.679 . . . . 0.0 109.289 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -40.42 93.85 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.624 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.15 -35.49 80.62 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.115 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.79 94.8 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.4 -49.97 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -53.85 -52.23 61.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 123.607 0.567 . . . . 0.0 110.622 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -60.71 -43.79 97.37 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.585 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.72 -40.66 84.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.277 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -57.18 -48.68 78.15 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 124.544 1.138 . . . . 0.0 108.587 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -65.44 -35.61 81.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.277 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.27 -46.74 82.8 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.4 0.619 . . . . 0.0 109.528 170.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -45.9 80.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.68 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 14' ' ' LYS . 93.3 mt -55.03 -41.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 123.406 0.442 . . . . 0.0 110.299 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.48 -34.46 77.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.53 -47.86 37.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.639 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 18.1 t -61.83 -38.38 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.864 175.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.57 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.001 0.52 . . . . 0.0 111.857 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -66.81 -17.93 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.34 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 46.6 t-80 -59.49 -32.59 70.41 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.54 -9.91 0.23 Allowed Glycine 0 CA--C 1.505 -0.573 0 C-N-CA 119.08 -1.534 . . . . 0.0 113.538 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.0 mp -63.29 147.33 51.37 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.65 0.738 . . . . 0.0 112.557 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.5 t70 -95.07 179.56 5.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 m80 -57.95 -40.5 80.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 124.656 1.182 . . . . 0.0 110.198 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.7 m-20 -74.89 -32.96 61.97 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.27 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.22 -38.97 92.08 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ASP . 99.3 t -64.7 -43.54 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 79.4 mt -60.51 -53.57 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.726 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.9 mt -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.052 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.12 -52.69 64.25 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.96 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 p -61.14 -36.09 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.8 mtp180 -66.12 -51.66 55.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.439 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.72 -34.22 75.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 42' ' ' ILE . 27.7 tp -63.39 -49.63 73.07 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.853 0.861 . . . . 0.0 110.578 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.62 -41.25 98.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.499 0.666 . . . . 0.0 109.826 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -59.34 -38.7 81.04 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 125.333 1.453 . . . . 0.0 111.186 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -69.79 -38.72 76.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.338 0.59 . . . . 0.0 109.728 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.4 mt -68.38 -55.54 15.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.986 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -53.48 -35.11 60.22 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.72 0.408 . . . . 0.0 111.015 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.95 -48.17 80.73 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 123.87 0.731 . . . . 0.0 110.507 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.466 ' O ' HD21 ' B' ' 26' ' ' LEU . 45.1 m-85 -82.28 -30.79 30.4 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 50.7 mtp . . . . . 0 C--N 1.312 -1.058 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.443 -0.8 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -32.01 71.48 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.28 -46.24 91.17 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -70.65 -31.87 68.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.0 -52.13 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 34.5 mm-40 -58.65 -48.26 81.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.462 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -58.41 -47.73 82.98 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.869 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -67.6 -39.73 84.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 110.291 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.5 ttpt -55.11 -51.38 66.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.475 1.11 . . . . 0.0 108.346 174.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.7 mtpm? -65.12 -37.61 88.01 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.581 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.3 mt-10 -56.31 -45.19 80.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.302 0.573 . . . . 0.0 109.705 174.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.401 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.09 -44.04 73.31 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.335 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.1 mt -57.76 -43.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 O-C-N 123.244 0.34 . . . . 0.0 110.092 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.39 -31.72 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.763 0.316 . . . . 0.0 110.996 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 89.9 mt -71.28 -50.04 36.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.041 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.3 -27.29 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.173 176.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -47.0 65.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.93 -10.64 60.06 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.187 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.6 t-80 -62.85 -34.57 77.64 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.12 41.69 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.206 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 43.8 mt -95.56 148.76 22.17 Favored 'General case' 0 CA--C 1.488 -1.423 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.815 176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.498 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.4 t70 -74.46 159.92 31.64 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.649 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 m-70 -55.39 -35.68 65.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.882 0.31 . . . . 0.0 111.67 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.974 0.416 . . . . 0.0 110.206 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.534 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mmtt -65.69 -44.02 87.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.076 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 27' ' ' ASP . 41.7 t -60.33 -42.67 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.748 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 78.7 mt -63.96 -47.61 79.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.65 -48.69 80.65 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.8 -51.53 67.88 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.113 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -58.92 -41.13 86.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 15.0 ptm180 -73.33 -41.1 63.89 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.608 -178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.84 -31.08 66.14 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.537 0.684 . . . . 0.0 110.045 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.64 -43.34 72.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.909 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.1 -46.91 82.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.22 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.3 mtpp -62.6 -42.44 99.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.529 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.87 -42.32 99.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.925 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' B' ' 46' ' ' MET . 57.7 mt -66.92 -54.65 22.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.155 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.23 -27.48 62.06 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.31 0.644 . . . . 0.0 112.134 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.53 -53.57 49.77 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD21 ' A' ' 26' ' ' LEU . 37.8 m-85 -74.9 -26.56 59.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 76.8 mtp . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 173.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.789 0.328 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.79 -47.29 69.55 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -65.05 -36.38 84.16 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.603 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -59.4 -45.82 90.44 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.54 -36.79 79.3 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.69 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.25 -49.08 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.74 -50.91 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.71 0.632 . . . . 0.0 110.77 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.2 -47.73 84.78 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 123.937 0.895 . . . . 0.0 113.384 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -67.59 -37.87 83.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.99 0.424 . . . . 0.0 110.275 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.4 ttpt -57.55 -51.58 68.88 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.465 1.106 . . . . 0.0 108.465 173.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 18' ' ' ILE . 43.3 mttm -60.64 -38.82 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.27 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 34.8 mm-40 -57.45 -41.61 80.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.288 0.367 . . . . 0.0 110.25 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.85 -45.79 73.6 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 177.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 14' ' ' LYS . 63.0 mt -57.25 -41.91 79.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 O-C-N 123.436 0.46 . . . . 0.0 110.09 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 16.4 mt-30 -59.06 -39.54 82.38 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.747 0.419 . . . . 0.0 110.634 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.8 mt -70.34 -47.95 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.614 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.1 p -67.93 -31.66 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 119.644 -0.823 . . . . 0.0 112.315 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.72 -51.93 66.35 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 122.186 -0.321 . . . . 0.0 111.478 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.18 -19.02 61.11 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.781 0.433 . . . . 0.0 111.813 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.6 t-80 -57.58 -32.85 67.56 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.906 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.05 -0.32 0.7 Allowed Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 119.208 -1.473 . . . . 0.0 113.756 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -63.35 146.72 52.93 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 121.417 0.627 . . . . 0.0 112.599 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -85.64 175.78 8.56 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.9 m-70 -65.64 -38.39 89.22 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.302 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.632 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.5 p-10 -62.9 -39.24 93.92 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.53 -44.05 95.36 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.29 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 27' ' ' ASP . 91.7 t -63.89 -41.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.916 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 85.6 mt -61.73 -50.89 70.62 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.675 0.39 . . . . 0.0 110.975 177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 65.3 mt -63.38 -43.17 98.36 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.33 0.394 . . . . 0.0 111.142 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.26 -54.41 37.65 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.739 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 p -60.44 -41.39 93.94 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.3 ptm180 -69.42 -36.58 76.82 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.58 -38.31 59.22 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.883 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.85 -45.67 91.69 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.404 1.082 . . . . 0.0 110.389 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.3 -44.02 83.73 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.084 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -65.82 -42.43 90.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.052 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.48 -42.03 91.17 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 123.667 0.604 . . . . 0.0 111.106 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.67 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.8 mt -67.84 -57.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.03 -29.46 63.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.115 0.566 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -50.15 69.33 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.08 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.75 -32.61 65.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 71.0 mtp . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? . . . . . 0 N--CA 1.44 -0.974 0 CA-C-O 121.028 0.442 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -33.99 77.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -64.47 -42.14 96.1 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.555 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 12' ' ' ASN . 73.7 mmtt -64.36 -38.53 91.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.15 -46.74 95.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.428 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -58.64 -49.35 77.85 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' 9' ' ' LYS . 22.1 t-20 -51.29 -53.61 34.04 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 125.532 1.533 . . . . 0.0 112.118 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.97 -40.36 65.36 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.108 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 36.2 ttpt -57.84 -47.19 83.41 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.342 0.657 . . . . 0.0 109.607 174.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 37.7 mttp -62.4 -38.29 89.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.631 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.56 -39.12 86.84 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.477 0.656 . . . . 0.0 110.391 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -69.26 -45.48 69.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.673 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.2 mt -54.99 -42.4 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 98.2 mt-30 -58.34 -39.22 78.91 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.958 176.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.46 -49.66 52.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.489 ' O ' HD13 ' B' ' 26' ' ' LEU . 21.7 t -59.49 -39.82 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.305 0.574 . . . . 0.0 110.193 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.39 -46.75 88.84 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.072 0.549 . . . . 0.0 111.927 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.13 -5.36 41.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 111.542 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -72.1 -30.38 65.02 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.253 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.44 -7.75 0.53 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.201 -1.476 . . . . 0.0 114.142 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.1 mp -55.07 143.28 27.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' B' ' 31' ' ' VAL . 15.8 m-20 -73.81 172.12 12.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.996 -1.456 . . . . 0.0 108.31 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.14 -51.58 68.75 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 123.496 0.718 . . . . 0.0 109.543 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.95 -29.07 67.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.469 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 16.9 mmtp -61.46 -41.72 97.67 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.712 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 27' ' ' ASP . 53.2 t -63.85 -38.35 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.56 -53.45 41.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.361 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.02 -44.15 97.84 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 80.0 t80 -59.82 -52.44 65.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.601 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -60.6 -46.4 90.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.91 -26.68 60.65 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' B' ' 40' ' ' LYS . 18.5 t70 -78.22 -39.9 39.02 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.092 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 7.0 tt -67.31 -34.85 78.24 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.639 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -56.28 -46.89 79.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.158 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.504 ' NZ ' ' HA ' ' B' ' 37' ' ' ASP . 35.7 mtmm -61.97 -37.49 84.99 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.604 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -66.27 -40.5 90.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 46' ' ' MET . 39.9 mt -67.22 -56.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.609 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -52.86 -33.94 52.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.427 0.691 . . . . 0.0 111.569 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -58.59 -48.2 81.72 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.537 0.735 . . . . 0.0 110.356 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.526 ' HB3' HD21 ' A' ' 26' ' ' LEU . 34.9 m-85 -80.4 -27.48 38.11 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.8 mtp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.2 mt-30 . . . . . 0 C--O 1.217 -0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD12 ' ND1' ' B' ' 24' ' ' HIS . 3.1 tm? -57.29 -42.29 81.43 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.257 1.023 . . . . 0.0 110.737 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -66.13 -34.55 78.32 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.096 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.0 mmtt -67.83 -38.54 83.35 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.48 -48.09 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.575 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 76.7 mm-40 -56.49 -50.43 71.79 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.806 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.49 -44.46 95.94 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.335 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -66.05 -43.36 87.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.06 0.457 . . . . 0.0 110.268 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HD3' HD12 ' A' ' 42' ' ' ILE . 37.6 ttpt -56.48 -49.08 75.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -63.99 -38.07 89.75 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.589 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.79 -46.35 84.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.437 0.637 . . . . 0.0 109.509 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.1 tm? -66.31 -44.91 82.08 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.258 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.7 mt -58.02 -41.02 79.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 O-C-N 123.335 0.397 . . . . 0.0 110.223 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.06 -39.73 93.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.846 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.83 -52.16 58.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.716 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.496 HG21 ' CE2' ' A' ' 34' ' ' PHE . 10.0 m -61.4 -34.66 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.567 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -63.52 -51.82 63.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.232 0.613 . . . . 0.0 111.253 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.41 -18.62 64.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.981 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.413 ' ND1' HD12 ' B' ' 6' ' ' LEU . 23.4 t60 -63.41 -39.06 93.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.552 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.44 -16.36 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 118.889 -1.624 . . . . 0.0 114.335 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.9 mp -55.21 144.45 24.43 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -75.35 168.86 19.19 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.76 -1.564 . . . . 0.0 107.524 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 m80 -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.227 0.537 . . . . 0.0 109.729 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 m-20 -62.94 -34.71 78.05 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.62 -44.52 93.69 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.612 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.6 t -61.35 -43.57 96.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 123.715 0.635 . . . . 0.0 109.735 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 77.3 mt -61.7 -53.5 55.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.87 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.1 mt -62.95 -41.96 99.67 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.606 0.241 . . . . 0.0 111.066 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' VAL . 75.5 t80 -61.62 -51.25 69.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.261 0.624 . . . . 0.0 111.354 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.5 p -61.14 -35.07 76.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.335 0.397 . . . . 0.0 111.516 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.0 mtp180 -68.29 -51.91 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.389 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.03 -39.01 92.74 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.63 -176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.42 -43.49 85.53 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.288 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.71 -47.67 83.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 7.9 mptt -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.995 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 61.3 tp -62.62 -42.58 99.67 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 109.844 174.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.495 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.8 mt -65.37 -50.8 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.159 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.368 178.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -57.13 -32.33 66.25 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.5 ttmm -60.94 -50.13 74.64 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 123.971 0.908 . . . . 0.0 110.527 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.58 -32.54 41.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 121.116 0.484 . . . . 0.0 112.082 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--N 1.297 -1.711 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.807 -178.062 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.413 HD12 ' ND1' ' A' ' 24' ' ' HIS . 3.4 tm? . . . . . 0 N--CA 1.439 -1.001 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HB ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -67.0 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.83 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -69.78 -31.86 70.02 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -70.48 -33.79 71.65 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.108 172.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 65.9 mt -58.7 -48.51 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -54.27 -52.78 60.32 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.881 0.738 . . . . 0.0 110.045 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.1 -41.98 93.72 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.396 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.72 -42.22 74.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.5 ttpt -53.96 -49.42 68.79 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.714 1.206 . . . . 0.0 108.715 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.97 -40.89 97.45 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.707 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.71 -41.53 73.94 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 121.398 0.618 . . . . 0.0 110.395 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.407 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -70.93 -42.07 70.33 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.433 -178.29 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.7 mt -58.5 -42.98 85.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.62 -24.52 67.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.05 -53.75 7.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.148 -0.345 . . . . 0.0 111.382 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.72 -34.26 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.439 0.638 . . . . 0.0 111.037 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.65 -43.97 87.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.417 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.31 -10.69 59.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.117 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.43 ' ND1' HD12 ' A' ' 6' ' ' LEU . 8.9 t60 -68.84 -48.38 63.62 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.77 34.08 0.02 OUTLIER Glycine 0 N--CA 1.434 -1.491 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.385 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 57.5 mt -90.64 144.41 25.77 Favored 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.755 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.44 ' O ' HG23 ' B' ' 31' ' ' VAL . 3.0 m-20 -70.27 158.74 35.34 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 47.2 m80 -59.3 -35.63 74.13 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 118.357 0.526 . . . . 0.0 111.192 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.35 -34.42 77.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.451 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.684 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 31.6 mmtp -65.82 -46.6 78.02 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.898 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 27' ' ' ASP . 23.2 t -56.92 -43.39 80.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 123.827 0.704 . . . . 0.0 110.182 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 59.1 mt -64.81 -51.93 59.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -38.09 89.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.44 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.36 -51.98 38.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.229 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 45.4 p -57.78 -36.84 72.72 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 7.7 ptm180 -78.4 -35.78 46.65 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.856 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.51 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 t70 -78.53 -28.02 46.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.609 0.719 . . . . 0.0 109.525 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 tp -67.05 -43.31 83.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.85 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.13 -43.52 98.76 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 46.8 mtpt -55.76 -48.7 74.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.254 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.0 tt -62.21 -45.55 92.84 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.812 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.527 ' O ' ' HG2' ' B' ' 46' ' ' MET . 52.4 mt -65.88 -48.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.814 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -57.37 -34.4 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.406 0.146 . . . . 0.0 111.168 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 34.9 ttmt -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.256 1.022 . . . . 0.0 110.475 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 26' ' ' LEU . 21.0 m-85 -77.51 -29.92 52.71 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.3 mmm . . . . . 0 C--N 1.307 -1.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 90.3 mt-30 . . . . . 0 N--CA 1.445 -0.704 0 CA-C-O 121.116 0.484 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.68 -45.84 56.82 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -29.04 68.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.639 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 25.9 t-20 -59.56 -48.54 81.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.722 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.64 -40.63 97.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.06 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.36 -50.15 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.085 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -58.05 -52.17 66.65 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.079 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -57.8 -45.46 86.04 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 124.079 0.862 . . . . 0.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -68.54 -46.27 69.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.987 0.423 . . . . 0.0 110.874 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.6 ttpt -58.66 -42.13 87.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.699 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.52 -39.97 92.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.651 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.48 -40.08 74.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.651 0.739 . . . . 0.0 109.172 173.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.77 -47.29 69.61 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.546 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.0 mt -56.92 -40.89 75.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.32 -39.0 91.61 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.687 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.39 -46.8 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' HD13 ' A' ' 26' ' ' LEU . 89.4 t -57.3 -43.18 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.891 0.377 . . . . 0.0 110.337 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.99 67.2 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.563 0.745 . . . . 0.0 112.014 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -66.59 -18.56 65.43 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -60.83 -31.55 70.97 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.544 0.212 . . . . 0.0 110.951 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.85 11.42 0.12 Allowed Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 119.356 -1.402 . . . . 0.0 113.745 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.3 mp -75.59 149.39 38.29 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.0 m-20 -87.05 171.04 11.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.535 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 p-80 -56.17 -48.78 75.66 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -63.34 -37.62 87.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.498 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -60.24 -46.04 91.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.531 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.7 t -61.77 -43.23 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.3 mt -63.0 -50.27 71.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.42 -42.42 98.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.99 -54.74 37.47 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 123.467 0.479 . . . . 0.0 110.83 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -58.97 -41.2 86.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -74.35 -35.07 63.57 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.106 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.03 -32.23 61.52 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.05 -46.53 80.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.214 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.54 -42.7 97.07 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -61.91 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.073 1.349 . . . . 0.0 112.111 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 5.1 tt -60.43 -40.38 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.546 HD12 ' HD3' ' A' ' 14' ' ' LYS . 87.0 mt -73.98 -43.57 52.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.44 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -57.72 -29.22 64.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.975 0.51 . . . . 0.0 110.617 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 35.6 ttmt -62.45 -49.2 76.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.193 0.997 . . . . 0.0 110.029 176.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' B' ' 26' ' ' LEU . 73.0 m-85 -83.32 -29.96 27.89 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm . . . . . 0 C--N 1.312 -1.054 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.57 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -67.08 -27.85 67.7 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.255 179.284 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -74.27 -34.11 63.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -65.26 -38.56 90.68 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 56.5 mt -60.32 -49.84 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.781 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 17.0 mm-40 -52.1 -53.88 37.16 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 123.28 0.632 . . . . 0.0 109.989 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.69 -47.62 79.47 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.389 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.8 -39.01 84.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 110.12 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.453 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -57.36 -47.82 80.62 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.277 1.031 . . . . 0.0 108.372 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -65.86 -41.71 91.3 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.634 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.42 -42.73 74.56 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.301 0.572 . . . . 0.0 109.509 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 21' ' ' VAL . 19.7 tp -68.24 -46.28 70.95 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.748 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.8 mt -53.89 -43.64 57.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 123.623 0.577 . . . . 0.0 110.288 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 24.0 mt-30 -56.45 -42.51 78.28 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.769 0.668 . . . . 0.0 110.764 176.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.16 -49.76 53.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.648 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 26' ' ' LEU . 20.5 t -62.41 -36.23 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-O 121.375 0.607 . . . . 0.0 110.296 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.88 -48.06 80.64 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.503 0.721 . . . . 0.0 111.763 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.31 -13.13 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 37.6 t-80 -60.28 -31.92 70.7 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.384 0.427 . . . . 0.0 110.312 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.58 -6.29 0.39 Allowed Glycine 0 CA--C 1.492 -1.403 0 C-N-CA 118.859 -1.639 . . . . 0.0 113.489 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.52 140.12 47.29 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.9 0.857 . . . . 0.0 112.917 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 31' ' ' VAL . 4.9 m-20 -72.33 167.13 21.09 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.005 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.426 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 44.7 m80 -62.94 -35.96 81.85 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 120.957 0.408 . . . . 0.0 109.948 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.62 -41.48 98.29 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.279 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -61.9 -38.33 87.96 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.17 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.1 t -64.71 -42.37 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 91.9 mt -60.27 -52.79 63.76 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.816 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.72 -44.93 86.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.884 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.61 -49.81 75.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.8 p -60.81 -38.88 86.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.35 -38.58 55.65 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.79 -43.62 88.21 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.08 -42.56 76.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.882 -1.508 . . . . 0.0 111.649 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.67 -42.39 96.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.611 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.39 -35.56 77.87 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.499 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.18 -40.4 97.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.203 0.525 . . . . 0.0 109.726 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' B' ' 46' ' ' MET . 60.4 mt -69.7 -45.74 76.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.243 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -56.71 -34.82 67.83 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.896 0.478 . . . . 0.0 111.011 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -60.04 -55.11 38.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.885 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 26' ' ' LEU . 62.6 m-85 -76.6 -24.78 53.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 13.4 mmt . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 76.7 mt-30 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.623 0.249 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.3 tm? -64.57 -44.06 91.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 172.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 2.7 mmmt -58.97 -44.74 91.57 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.978 176.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.75 -34.78 76.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.894 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.3 mttm -66.66 -41.98 87.32 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.07 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.57 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 23.6 mm-40 -55.57 -52.39 63.91 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 123.836 0.71 . . . . 0.0 110.341 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.72 -49.19 73.71 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.777 0.673 . . . . 0.0 111.708 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -67.39 -42.15 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.283 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -55.62 -49.54 72.54 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.773 1.229 . . . . 0.0 108.839 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.3 mtpp -63.73 -40.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.833 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -55.19 -42.86 73.8 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.461 0.648 . . . . 0.0 109.73 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -70.8 -43.0 69.54 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.78 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.3 mt -58.64 -41.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.22 -33.21 74.13 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.472 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.8 mt -69.96 -52.22 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.8 m -62.22 -30.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.623 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -49.96 67.74 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.353 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -66.01 -18.33 65.27 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.063 0.458 . . . . 0.0 111.94 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -55.86 -38.99 70.85 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.137 171.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.98 35.69 0.17 Allowed Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 120.178 -1.011 . . . . 0.0 112.937 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 39.0 mt -89.95 151.71 21.57 Favored 'General case' 0 CA--C 1.484 -1.559 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.176 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.8 m-20 -76.75 167.22 22.22 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.656 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -59.61 -40.59 88.02 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.97 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 72.1 mmtt -62.55 -49.4 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 27' ' ' ASP . 70.5 t -58.76 -45.01 91.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 123.67 0.606 . . . . 0.0 110.071 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 80.0 mt -65.71 -52.84 48.09 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.66 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -40.74 91.43 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.427 -0.109 . . . . 0.0 111.054 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -61.92 -52.77 62.72 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.595 0.559 . . . . 0.0 111.005 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.0 p -61.68 -35.14 77.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.7 mtp180 -66.9 -46.74 73.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.32 0.387 . . . . 0.0 110.571 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.05 -31.6 62.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.113 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' ILE . 21.8 tp -63.62 -47.06 82.92 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.59 0.756 . . . . 0.0 110.122 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -55.4 -50.49 69.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.922 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -62.32 -39.28 92.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.211 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 40.8 tp -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.037 0.535 . . . . 0.0 111.53 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.7 mt -68.28 -51.67 45.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -54.3 -33.06 57.92 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.982 0.913 . . . . 0.0 111.144 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 40.3 ttmt -57.44 -47.24 82.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.171 0.988 . . . . 0.0 109.954 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -82.22 -33.63 29.24 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.165 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.7 mtp . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.283 0.563 . . . . 0.0 109.753 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.3 OUTLIER -63.96 -32.94 74.65 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.742 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -59.29 -45.97 89.83 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 124.076 0.95 . . . . 0.0 109.638 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.56 -34.16 75.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.407 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.94 -47.7 91.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 19.7 mm-40 -55.82 -49.26 73.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.83 -52.44 62.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.468 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -69.8 -40.57 75.88 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.463 -174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.571 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -54.26 -50.42 67.27 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 124.363 1.065 . . . . 0.0 108.365 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.9 mtpm? -64.12 -40.23 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.16 -41.48 79.29 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.408 0.623 . . . . 0.0 109.862 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -71.25 -43.6 66.93 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.459 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.7 mt -55.47 -42.83 69.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 96.4 mt-30 -62.59 -35.15 78.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.944 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 83.1 mt -72.34 -47.45 49.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.119 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 25.3 t -60.26 -37.38 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.325 0.583 . . . . 0.0 110.233 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.31 -48.89 77.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.403 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 14.5 ptm180 -73.38 -7.43 51.65 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.043 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.8 t60 -64.11 -40.49 96.32 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.21 0.03 OUTLIER Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.7 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.654 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 22.7 mt -95.99 143.77 26.87 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-O 121.239 0.542 . . . . 0.0 112.042 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.03 162.94 28.73 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 172.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 90.1 m-70 -60.06 -34.14 73.02 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.971 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.461 ' O ' HD13 ' B' ' 33' ' ' LEU . 4.7 p-10 -64.96 -38.03 89.61 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.9 mmtm -62.54 -45.19 94.1 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.39 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.5 -41.45 87.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 O-C-N 123.529 0.518 . . . . 0.0 110.09 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 73.0 mt -65.13 -49.53 69.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.199 0.523 . . . . 0.0 110.48 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.461 HD13 ' O ' ' B' ' 29' ' ' ASP . 9.0 mp -65.07 -37.43 87.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.51 -48.59 63.99 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -59.31 -42.68 91.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.52 -26.13 59.79 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 6.2 t70 -80.72 -40.66 24.9 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -62.1 -45.05 95.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.327 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.82 -41.38 86.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.2 0.524 . . . . 0.0 110.089 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 4.7 ttmp? -62.06 -46.43 89.16 Favored 'General case' 0 N--CA 1.407 -2.596 0 C-N-CA 124.624 1.169 . . . . 0.0 111.106 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.35 -38.32 90.61 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.157 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.568 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.6 mt -68.17 -54.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.44 -33.04 58.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.903 0.481 . . . . 0.0 111.614 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -59.13 -55.45 34.86 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 109.474 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.407 ' O ' HD21 ' A' ' 26' ' ' LEU . 41.0 m-85 -75.31 -27.88 59.47 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 27.4 mtp . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 18.1 pt20 . . . . . 0 C--O 1.221 -0.397 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.32 -44.38 62.78 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -66.13 -31.18 71.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -66.15 -43.2 87.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -59.99 -43.22 95.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.977 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.512 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.8 mt -55.27 -46.9 78.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 O-C-N 123.749 0.655 . . . . 0.0 110.139 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 25.5 mm-40 -56.74 -53.34 58.89 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.241 0.338 . . . . 0.0 111.253 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 37.4 m-80 -58.55 -49.52 77.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 O-C-N 123.997 0.811 . . . . 0.0 111.533 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' HD2' ' B' ' 13' ' ' LYS . 11.1 tppt? -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.986 -176.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.7 ttpt -55.65 -52.3 64.29 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 125.112 1.365 . . . . 0.0 108.841 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.47 -38.98 93.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.706 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 48.3 mt-10 -57.27 -44.21 83.77 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.461 0.648 . . . . 0.0 109.702 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -69.99 -41.53 74.29 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.289 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.6 mt -57.8 -42.02 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.48 -33.25 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.701 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' B' ' 10' ' ' ILE . 86.3 mt -71.35 -48.86 47.65 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.505 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 26' ' ' LEU . 16.6 m -63.52 -32.36 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.362 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.19 -51.77 66.49 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.772 0.429 . . . . 0.0 111.504 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.4 -19.0 65.23 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.114 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 45.5 t-80 -59.65 -34.48 72.87 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.735 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.12 -5.12 0.46 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.302 -1.428 . . . . 0.0 114.041 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.2 mp -57.04 145.11 31.69 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.0 m-20 -79.99 170.34 16.6 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 29.3 t-80 -60.79 -40.72 93.68 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.87 -43.24 85.86 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -62.57 -43.13 99.59 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.911 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.9 t -62.7 -40.49 88.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 123.605 0.566 . . . . 0.0 109.871 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.2 mt -64.72 -53.3 49.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.64 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.13 -43.53 91.99 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.988 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.85 -52.13 65.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' HD13 ' A' ' 18' ' ' ILE . 33.5 p -63.89 -34.93 79.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 20.7 mtp180 -60.8 -55.11 36.95 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.97 -40.53 91.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.515 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -47.0 87.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.74 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.75 -46.21 90.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.193 0.52 . . . . 0.0 109.746 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.9 -36.8 80.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.731 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.198 0.523 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' MET . 73.0 mt -67.33 -45.16 86.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.331 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.74 -35.59 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.199 0.523 . . . . 0.0 110.646 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.25 -46.47 86.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.132 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.85 -26.08 49.13 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 14.9 mmt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -30.57 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.343 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -67.79 -42.37 81.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -70.09 -31.19 68.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' A' ' 20' ' ' LEU . 54.2 mt -60.55 -47.05 94.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.51 -52.83 60.74 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.876 0.735 . . . . 0.0 109.733 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.5 -49.72 69.51 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.672 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.508 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 1.5 tppp? -66.97 -39.34 87.2 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.9 ttpt -59.88 -45.68 91.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.751 0.821 . . . . 0.0 109.351 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 85.2 mttt -64.95 -38.87 92.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.958 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -55.86 -41.74 74.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.611 0.719 . . . . 0.0 109.383 172.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -68.43 -44.39 75.06 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.437 -179.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 79.8 mt -57.76 -40.16 74.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 53.0 mt-30 -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.047 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.512 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.6 mp -59.96 -54.14 49.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.3 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.2 -38.48 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-O 121.322 0.582 . . . . 0.0 111.088 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.62 67.86 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.736 0.814 . . . . 0.0 112.312 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 16.2 ptm180 -73.25 -11.25 60.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.702 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -64.19 -57.61 9.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.46 0.05 OUTLIER Glycine 0 N--CA 1.426 -1.991 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.783 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 45.3 mt -102.33 155.91 17.93 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.284 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 31' ' ' VAL . 18.4 m-20 -97.68 171.19 8.5 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.573 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 28.0 t60 -57.47 -38.01 73.81 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.46 0.475 . . . . 0.0 111.663 -173.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.1 -40.7 96.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 111.01 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.0 mmtt -64.8 -43.38 93.37 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.2 t -58.61 -43.8 88.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.539 0.524 . . . . 0.0 110.202 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 60.8 mt -65.15 -48.49 73.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.264 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.37 -41.03 90.03 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.053 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.31 -54.44 36.98 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 123.758 0.661 . . . . 0.0 110.897 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 38.4 p -57.74 -39.99 78.64 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -78.78 -30.42 45.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.771 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.8 t70 -74.43 -37.55 63.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.86 -47.82 84.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.344 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.28 -42.24 81.26 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.88 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 14.0 pttm -65.95 -39.74 90.72 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.741 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.94 -37.61 88.22 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.376 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.0 mt -70.55 -54.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.782 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -53.94 -37.52 63.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.151 0.58 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -58.87 -48.39 81.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.716 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -78.84 -29.51 44.68 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.9 mtp . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 121.081 0.467 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -71.1 -46.08 62.45 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 8.1 mmmt -62.1 -35.35 78.42 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.478 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -60.66 -47.0 88.21 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 123.67 0.606 . . . . 0.0 110.573 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.07 -40.44 95.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.85 -52.72 58.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.863 0.727 . . . . 0.0 110.458 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 17.1 mm-40 -54.39 -49.45 69.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 124.929 1.291 . . . . 0.0 111.461 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.67 -40.62 72.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.843 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 29.4 ttpt -58.31 -44.46 88.59 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.244 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' ILE . 58.1 mtpt -64.21 -41.28 97.11 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.649 0.78 . . . . 0.0 111.808 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.2 -42.3 81.03 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.773 0.67 . . . . 0.0 109.741 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.9 tp -65.15 -46.49 80.68 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.233 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -53.67 -42.79 52.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 123.807 0.692 . . . . 0.0 110.224 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -61.34 -34.97 76.15 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.673 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.61 -47.68 30.89 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.364 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.526 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.1 t -62.25 -34.54 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.24 0.543 . . . . 0.0 109.865 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.71 -51.98 65.07 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.165 0.586 . . . . 0.0 111.755 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -64.82 -17.87 64.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 33.7 t-80 -57.17 -34.6 68.63 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.457 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.57 -15.0 0.25 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.85 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.5 mp -57.1 146.98 25.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 t70 -95.2 176.72 6.11 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 t-80 -58.91 -37.85 77.57 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 123.189 0.596 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.32 -38.29 90.5 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.321 0.582 . . . . 0.0 110.115 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -72.4 -37.74 68.62 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.652 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 83.5 t -66.6 -39.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 94.6 mt -63.25 -53.86 46.37 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.226 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.04 -42.03 97.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.414 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -65.02 -49.53 69.83 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.2 p -61.66 -33.74 74.49 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.6 mtp180 -71.05 -52.93 16.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.669 0.271 . . . . 0.0 110.725 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.99 -42.82 99.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.056 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 42' ' ' ILE . 29.5 tp -61.57 -43.69 98.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.702 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.96 -46.95 87.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.473 0.654 . . . . 0.0 109.355 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.365 -1.288 . . . . 0.0 111.56 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.16 -43.94 92.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.818 0.447 . . . . 0.0 111.642 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.2 mt -65.37 -57.02 12.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.017 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.54 -28.76 63.81 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.781 0.832 . . . . 0.0 111.857 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.79 -44.42 93.39 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.686 0.794 . . . . 0.0 109.924 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -77.96 -35.19 50.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.812 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 61.5 mtp . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -61.41 -35.59 77.95 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.6 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -65.38 -37.84 88.21 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 122.887 0.475 . . . . 0.0 109.777 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -64.52 -47.18 79.84 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.72 -50.98 64.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 O-C-N 124.227 0.954 . . . . 0.0 109.592 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.3 mm-40 -53.87 -62.29 1.75 Allowed 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 123.667 0.604 . . . . 0.0 111.602 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 8.8 t30 -54.45 -43.73 71.89 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 124.106 0.879 . . . . 0.0 111.811 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -65.95 -47.31 75.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.234 0.54 . . . . 0.0 111.14 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.5 ttpt -58.5 -44.18 89.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.608 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 92.1 mttt -65.48 -41.05 93.75 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.055 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.0 mt-10 -55.61 -39.74 71.18 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 173.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 21' ' ' VAL . 14.5 tp -68.59 -47.28 67.13 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.616 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 82.3 mt -54.63 -42.93 63.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 123.563 0.54 . . . . 0.0 109.735 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.3 mt-30 -57.31 -39.17 75.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.987 176.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.504 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 93.5 mt -72.62 -46.83 52.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 17' ' ' LEU . 17.4 t -62.05 -36.56 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 121.575 0.702 . . . . 0.0 109.631 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.18 85.33 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.638 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 10.9 ptm180 -74.57 -6.1 46.64 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.4 t60 -69.91 -37.24 75.9 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.32 44.21 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.939 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.945 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 25.7 mt -99.8 142.87 30.71 Favored 'General case' 0 CA--C 1.479 -1.76 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.256 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.515 ' O ' HG23 ' B' ' 31' ' ' VAL . 2.1 m-20 -69.79 159.58 33.31 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.666 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 34.9 m-70 -64.07 -30.46 71.53 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.349 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.2 -38.84 92.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.633 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 33.4 mmtp -63.31 -48.25 78.84 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.5 t -57.76 -43.47 84.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 123.489 0.716 . . . . 0.0 110.07 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 65.4 mt -61.75 -53.74 51.95 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 122.446 0.299 . . . . 0.0 111.285 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.07 -42.22 98.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.523 0.514 . . . . 0.0 110.888 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 66.1 t80 -63.63 -54.23 39.06 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.117 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 43.1 p -59.47 -41.76 90.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 18.0 ptm180 -69.61 -37.12 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.841 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 4.4 t70 -80.6 -31.02 36.82 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 119.466 -0.894 . . . . 0.0 110.073 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.1 -47.34 83.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.864 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.78 -41.21 90.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.447 0.641 . . . . 0.0 109.447 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 37.2 ttmt -63.05 -46.87 85.48 Favored 'General case' 0 N--CA 1.414 -2.245 0 C-N-CA 124.529 1.132 . . . . 0.0 110.328 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.79 -39.73 81.97 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.414 0.686 . . . . 0.0 110.437 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.693 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.0 mt -67.11 -54.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.527 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -51.42 -36.65 44.7 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.133 0.573 . . . . 0.0 111.859 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.61 -53.02 62.43 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.073 0.949 . . . . 0.0 109.636 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -75.58 -26.78 58.21 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.693 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.1 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 10.8 pt20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.261 0.553 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.71 -45.4 52.46 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -65.86 -30.48 71.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.011 177.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 9.8 t-20 -58.48 -50.31 74.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.359 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.39 -37.78 80.69 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.426 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.52 -51.72 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 58.0 mm-40 -57.01 -52.35 65.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 123.251 0.344 . . . . 0.0 111.138 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -60.31 -44.48 95.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -70.48 -38.51 74.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.925 0.393 . . . . 0.0 110.706 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.9 ttpt -61.15 -43.77 98.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.543 175.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 60.2 mtpt -68.77 -34.71 76.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 48.5 mt-10 -58.43 -42.61 87.67 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -67.18 -43.84 81.18 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 14' ' ' LYS . 90.5 mt -55.53 -40.25 57.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.307 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 77.2 mt-30 -57.54 -43.98 84.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.433 0.458 . . . . 0.0 110.811 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.665 ' HB3' HG12 ' B' ' 10' ' ' ILE . 3.1 mm? -62.3 -52.41 63.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.31 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 1.6 m -65.91 -31.39 53.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.366 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -67.32 -48.35 67.83 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 122.147 -0.346 . . . . 0.0 111.6 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -64.95 -19.12 65.8 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.719 0.295 . . . . 0.0 111.156 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.0 t-80 -55.39 -42.99 74.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.517 0.727 . . . . 0.0 110.584 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -8.19 0.2 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.649 -1.262 . . . . 0.0 113.503 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' B' ' 45' ' ' PHE . 10.9 mp -56.65 141.67 42.74 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -77.61 163.78 25.93 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.7 m80 -60.03 -34.8 73.87 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 t70 -56.76 -44.5 81.85 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.58 1.152 . . . . 0.0 110.327 175.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -68.03 -38.52 82.64 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' ASP . 84.7 t -64.87 -38.93 84.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.866 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 92.8 mt -63.51 -47.33 82.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.006 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 48.2 mt -69.43 -38.34 77.83 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.52 -52.38 53.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -59.5 -39.18 82.96 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -74.46 -38.08 63.06 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 44.5 t0 -69.21 -38.69 78.7 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.987 0.898 . . . . 0.0 109.139 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.9 tp -67.02 -42.04 85.58 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.516 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.09 -41.9 99.5 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.254 0.549 . . . . 0.0 110.102 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 20.4 pttp -70.52 -32.53 70.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.887 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 49.6 tp -67.97 -36.84 80.74 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 46' ' ' MET . 70.9 mt -73.5 -51.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.178 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.33 -31.93 55.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.872 0.469 . . . . 0.0 111.775 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 39.2 ttmt -57.72 -48.77 78.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.119 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' B' ' 26' ' ' LEU . 38.1 m-85 -80.56 -27.99 37.36 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.311 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.661 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 82.5 mtp . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.895 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -62.76 -36.31 82.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.543 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -76.39 -20.39 57.18 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.222 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -75.24 -35.99 61.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' A' ' 20' ' ' LEU . 82.3 mt -61.06 -48.43 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.856 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 65.9 mm-40 -54.36 -51.39 64.94 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.567 0.542 . . . . 0.0 109.774 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.75 -53.72 53.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.391 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -65.37 -41.07 94.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 31.3 ttpt -58.04 -45.06 87.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -64.83 -39.27 93.3 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.73 -37.68 79.6 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.204 0.526 . . . . 0.0 109.592 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.432 ' O ' HG23 ' B' ' 21' ' ' VAL . 16.1 tp -69.74 -47.3 63.54 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.498 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.4 mt -53.66 -44.11 56.95 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 123.576 0.547 . . . . 0.0 110.001 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.676 0.61 . . . . 0.0 111.531 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 97.5 mt -78.48 -45.81 21.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.4 t -60.96 -35.87 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.65 -51.46 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 17.2 ptm180 -75.32 2.6 10.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 36.6 t-80 -73.6 -29.53 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.29 0.98 0.41 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.056 -1.069 . . . . 0.0 112.317 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -73.06 136.74 45.01 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-O 121.952 0.882 . . . . 0.0 112.429 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.544 ' O ' HG23 ' B' ' 31' ' ' VAL . 20.6 m-20 -79.83 166.02 22.14 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.588 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 82.9 m-70 -64.36 -26.49 68.49 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 118.721 0.691 . . . . 0.0 112.276 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.81 -43.79 92.02 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 18.0 mmtp -61.15 -40.27 93.21 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.88 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 27' ' ' ASP . 57.6 t -62.91 -43.38 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 123.019 0.527 . . . . 0.0 110.155 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.3 mt -62.1 -50.1 73.3 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.902 0.481 . . . . 0.0 110.409 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.13 -40.93 97.58 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -66.78 -52.61 42.1 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.001 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.9 p -59.36 -39.18 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 17.5 ptm180 -70.76 -40.66 72.55 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.99 -37.75 66.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.41 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.84 -46.12 90.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.099 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.68 -39.47 88.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.078 0.466 . . . . 0.0 110.145 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.57 -31.98 65.66 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.462 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.5 tt -62.94 -43.62 98.31 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.8 mt -67.58 -51.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.775 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -56.03 -32.75 64.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -55.6 -38.62 69.66 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 124.334 1.054 . . . . 0.0 109.717 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.584 ' HB3' HD21 ' A' ' 26' ' ' LEU . 36.6 m-85 -94.66 -31.36 13.87 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.1 mtp . . . . . 0 C--N 1.308 -1.202 0 CA-C-O 121.255 0.55 . . . . 0.0 109.813 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.87 -44.6 76.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.251 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -30.29 70.07 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.065 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -63.65 -41.64 98.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.1 -46.0 92.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.789 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.4 -53.55 44.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.588 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -56.24 -53.42 57.39 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.553 0.533 . . . . 0.0 110.921 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -56.71 -49.87 73.87 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 123.907 0.754 . . . . 0.0 112.742 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.62 -35.03 76.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.385 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.536 ' HD3' HD12 ' A' ' 42' ' ' ILE . 36.5 ttpt -59.63 -48.56 81.19 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 123.92 0.888 . . . . 0.0 109.173 173.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.04 -41.54 90.73 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.256 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -57.56 -38.17 74.35 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.535 0.522 . . . . 0.0 109.913 173.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -67.65 -47.08 70.56 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.448 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.7 mt -55.12 -42.91 67.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 O-C-N 123.741 0.651 . . . . 0.0 110.184 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -57.71 -42.78 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.653 0.596 . . . . 0.0 110.904 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.79 -48.03 64.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.63 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.7 t -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.08 0.467 . . . . 0.0 110.134 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.83 -52.44 64.14 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.426 0.69 . . . . 0.0 112.528 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.43 -19.15 65.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.12 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.9 t-80 -55.0 -33.93 63.01 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.464 0.706 . . . . 0.0 110.969 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.0 3.93 0.17 Allowed Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 119.215 -1.469 . . . . 0.0 113.197 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.8 mp -69.55 144.62 53.04 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 121.726 0.774 . . . . 0.0 112.059 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -83.4 169.51 15.49 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.022 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.59 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -57.65 -43.78 85.19 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.386 0.429 . . . . 0.0 110.46 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.9 t70 -63.56 -37.88 89.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.757 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.56 -41.78 96.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.631 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.3 t -62.09 -41.7 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.6 mt -62.18 -50.09 73.22 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.597 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 78.1 mt -59.28 -48.88 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.51 0.506 . . . . 0.0 110.313 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.14 -52.41 64.98 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.28 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -60.78 -42.81 98.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.8 ptm180 -72.53 -34.14 67.36 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.539 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 5.0 t70 -78.29 -36.78 46.14 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.804 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.727 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.08 -44.53 87.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.954 0.407 . . . . 0.0 110.339 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 37' ' ' ASP . 54.0 mtmt -64.51 -42.11 96.01 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.709 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 47.4 tp -57.61 -43.19 84.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 123.629 0.581 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.725 ' O ' ' HG3' ' A' ' 46' ' ' MET . 72.4 mt -67.1 -54.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.123 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -56.63 -30.9 63.8 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.8 ttmt -57.92 -49.68 75.93 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.75 1.22 . . . . 0.0 109.92 176.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' B' ' 26' ' ' LEU . 42.5 m-85 -77.44 -26.47 51.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.514 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.725 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 51.3 mtp . . . . . 0 C--N 1.31 -1.117 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -34.77 79.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.409 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -61.12 -45.05 96.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.241 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -65.27 -38.78 91.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.54 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.27 -49.97 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -56.12 -51.2 68.77 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 123.505 0.503 . . . . 0.0 110.21 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -58.16 -47.22 84.04 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.93 0.769 . . . . 0.0 111.596 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.53 -45.11 76.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.033 0.444 . . . . 0.0 111.306 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.9 ttpt -56.41 -46.16 80.33 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 124.541 1.136 . . . . 0.0 109.364 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.47 -41.01 93.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.231 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.517 ' O ' HD22 ' B' ' 20' ' ' LEU . 35.2 mt-10 -55.06 -45.9 75.34 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 123.654 0.596 . . . . 0.0 110.119 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -63.24 -44.72 94.4 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.29 -179.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 64.4 mt -56.67 -38.48 57.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.51 -36.0 77.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.02 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.517 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.1 mm? -74.82 -49.44 20.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.401 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.0 p -66.92 -30.8 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 119.479 -0.888 . . . . 0.0 112.58 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.76 -45.44 92.66 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 122.198 -0.314 . . . . 0.0 111.184 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -74.01 -12.27 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.672 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 22.1 t-80 -58.92 -42.73 90.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.08 0.466 . . . . 0.0 110.148 175.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.95 -16.62 0.06 OUTLIER Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.404 -176.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.8 mp -53.21 134.31 39.13 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 121.553 0.692 . . . . 0.0 112.606 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.558 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.6 t70 -86.12 -177.5 6.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.539 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 12.2 m170 -61.08 -36.41 79.56 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 122.55 0.34 . . . . 0.0 110.602 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -71.24 -39.79 71.44 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.923 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.469 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 31.8 mmtm -62.36 -38.41 89.43 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.258 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.8 t -67.35 -34.93 72.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 89.2 mt -69.7 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -42.77 99.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.134 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 90.1 t80 -63.38 -51.73 64.65 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -60.04 -35.68 75.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -77.92 -35.79 50.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 3.8 t70 -75.01 -32.21 61.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.7 -47.75 68.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.051 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.78 -43.73 90.5 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.274 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 43.9 pttt -64.94 -37.87 89.09 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.494 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.78 -35.6 78.98 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.526 0.679 . . . . 0.0 109.358 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.591 ' O ' ' HG2' ' B' ' 46' ' ' MET . 61.2 mt -73.37 -51.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.91 -35.87 69.52 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.002 0.43 . . . . 0.0 110.932 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.82 -52.81 62.73 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.231 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.472 ' HB3' HD21 ' A' ' 26' ' ' LEU . 55.3 m-85 -75.95 -23.51 55.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.591 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.8 mmm . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 7.2 pt20 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.8 tm? -61.22 -41.67 97.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.594 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.23 -35.49 81.0 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.61 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.1 mmmt -68.84 -40.15 79.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mt -56.99 -48.15 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 49.7 mm-40 -57.35 -52.6 64.69 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.453 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.56 -40.9 93.3 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.742 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 1.9 tppp? -74.62 -39.62 62.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.1 ttpt -56.32 -47.98 77.64 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.23 1.012 . . . . 0.0 109.194 173.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.0 mttm -58.28 -39.37 79.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.814 0.846 . . . . 0.0 112.674 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 59.8 mm-40 -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.717 0.77 . . . . 0.0 109.594 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -66.44 -43.27 86.1 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.537 -1.21 . . . . 0.0 111.179 -177.566 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.2 mt -55.82 -41.95 68.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.01 -33.36 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.355 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.4 mp -69.22 -52.27 29.48 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.748 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.4 t -60.04 -40.92 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 121.086 0.47 . . . . 0.0 109.926 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.61 -51.39 69.71 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 123.613 0.765 . . . . 0.0 112.293 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.2 -18.64 64.63 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.709 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 6' ' ' LEU . 85.7 t60 -60.37 -37.76 81.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.426 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.15 6.36 0.09 OUTLIER Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 118.928 -1.606 . . . . 0.0 113.691 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.3 mp -66.64 146.45 54.47 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-O 121.621 0.724 . . . . 0.0 112.034 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 m-20 -77.39 167.68 21.27 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.523 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.31 -39.17 92.15 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.9 m-20 -63.06 -41.31 99.43 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.788 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 42.2 mmtm -59.91 -44.39 94.32 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.491 0.495 . . . . 0.0 110.569 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.4 t -59.27 -43.31 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 123.546 0.529 . . . . 0.0 110.132 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.9 mt -63.25 -48.01 80.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.593 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 70.4 mt -65.98 -44.64 84.28 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.613 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.98 -51.23 70.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.964 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 p -60.95 -41.38 96.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.24 -34.84 63.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.384 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.89 -40.67 72.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.5 tp -58.33 -47.23 84.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.951 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.67 -45.46 94.08 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.429 0.456 . . . . 0.0 110.212 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.21 -36.46 83.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.088 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.28 -39.72 95.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.695 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.0 mt -65.5 -54.18 31.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -52.16 -38.4 57.54 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.851 0.86 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -57.74 -49.6 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.342 1.057 . . . . 0.0 110.448 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -75.29 -33.1 61.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.695 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.2 mtp . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.6 tm? . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.42 82.87 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.549 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.77 -44.54 96.63 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.395 0.434 . . . . 0.0 110.228 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -62.56 -49.78 73.92 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 123.331 0.394 . . . . 0.0 111.036 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 20' ' ' LEU . 60.2 mt -50.25 -54.38 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 0.0 111.033 175.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 54.9 mm-40 -58.78 -55.29 36.98 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 123.331 0.395 . . . . 0.0 111.036 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -58.21 -47.5 83.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.36 -37.96 80.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.1 ttpt -59.75 -48.09 83.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.106 0.963 . . . . 0.0 109.054 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.3 mtpm? -62.78 -40.62 97.88 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.435 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.89 -41.22 82.13 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 110.325 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -45.16 69.98 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 14' ' ' LYS . 93.6 mt -55.03 -42.56 65.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 123.32 0.388 . . . . 0.0 110.052 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.03 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 84.8 mt -71.16 -49.37 44.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.581 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.18 -40.02 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 121.283 0.564 . . . . 0.0 109.896 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.03 79.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.546 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 16.5 ptm180 -76.31 1.27 16.6 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.42 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.8 t60 -74.33 -29.28 61.53 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.99 42.34 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.872 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.2 mt -96.89 149.05 22.31 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.621 0.724 . . . . 0.0 111.676 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.476 ' O ' HG23 ' B' ' 31' ' ' VAL . 24.7 t70 -81.93 167.64 18.73 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.565 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 32.1 t60 -58.49 -33.92 70.33 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.846 0.294 . . . . 0.0 110.342 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -36.42 77.6 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.5 mmtm -67.37 -43.52 81.22 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.025 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -60.98 -42.85 94.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 O-C-N 123.647 0.592 . . . . 0.0 109.646 177.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 54.6 mt -65.74 -47.25 75.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.682 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.59 -43.01 91.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.189 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -64.59 -49.9 69.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -58.51 -39.15 79.3 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 13.3 ptm180 -77.0 -41.25 43.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.189 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 0.5 OUTLIER -73.56 -28.86 62.09 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.47 -41.44 93.36 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.35 -46.71 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 94.3 mttt -55.33 -49.3 72.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.127 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.69 -42.72 89.21 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.999 0.519 . . . . 0.0 111.358 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.615 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.2 mt -66.23 -53.8 33.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -51.4 -38.3 52.75 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.118 0.967 . . . . 0.0 111.34 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.06 -43.87 87.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.094 0.958 . . . . 0.0 110.394 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -86.15 -24.22 26.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.772 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 63.3 mtp . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.522 0.677 . . . . 0.0 109.324 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.0 tm? -69.09 -46.76 66.97 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -34.19 77.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.776 178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.45 -48.46 81.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.72 0.808 . . . . 0.0 109.086 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.85 -38.62 91.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.092 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -58.52 -52.04 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -56.55 -45.04 81.42 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.713 0.633 . . . . 0.0 110.477 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.76 -53.49 57.2 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.946 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -71.39 -35.76 71.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.6 ttpt -57.75 -49.44 76.56 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.139 0.976 . . . . 0.0 109.37 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 7.7 mtpm? -67.33 -36.71 82.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.993 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.25 -41.3 83.92 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-O 121.601 0.715 . . . . 0.0 110.161 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 tp -69.16 -45.18 70.68 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.034 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.6 mt -55.18 -40.88 57.57 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 O-C-N 123.538 0.524 . . . . 0.0 109.758 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.0 mt-30 -55.91 -46.06 78.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.658 0.599 . . . . 0.0 110.539 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -68.54 -46.15 70.29 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.34 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 22.8 t -64.53 -33.22 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.228 0.537 . . . . 0.0 110.337 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -52.88 34.23 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.5 ptm180 -66.82 -18.94 65.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.516 0.51 . . . . 0.0 112.039 -178.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.9 t-80 -50.67 -45.76 58.23 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.17 41.17 0.03 OUTLIER Glycine 0 N--CA 1.42 -2.415 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.23 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 19.7 mt -91.0 158.35 16.75 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 121.484 0.659 . . . . 0.0 111.501 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.6 m-20 -83.36 168.03 17.0 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.596 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.3 t-80 -61.64 -41.94 98.2 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.7 p30 -62.03 -37.91 86.69 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.486 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.4 mmtm -62.56 -46.73 87.0 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.622 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.6 t -58.98 -40.41 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 53.9 mt -64.83 -51.75 60.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.7 mt -63.24 -42.28 99.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.599 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD1' HD22 ' B' ' 41' ' ' LEU . 75.2 t80 -61.45 -54.76 39.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.21 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 p -62.25 -35.97 80.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -74.57 -37.77 62.87 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.527 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.0 -39.21 79.46 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.58 -43.91 92.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.191 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.43 -44.74 96.6 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.49 -35.79 81.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.31 -42.28 99.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 109.812 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -49.47 76.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.29 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -56.39 -36.39 68.83 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.553 0.216 . . . . 0.0 111.221 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -58.02 -49.71 75.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 110.69 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -81.31 -28.94 34.37 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm . . . . . 0 CA--C 1.499 -1.014 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.011 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -36.09 82.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.1 -39.88 87.68 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.437 0.46 . . . . 0.0 109.826 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -72.4 -34.32 67.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.01 -49.84 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.35 -50.14 70.41 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.769 0.668 . . . . 0.0 110.392 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -53.77 -49.69 67.69 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.615 1.197 . . . . 0.0 111.513 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.73 -40.77 47.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.379 -174.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 33.4 ttpt -58.04 -48.92 78.63 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 124.304 1.041 . . . . 0.0 109.596 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' B' ' 18' ' ' ILE . 33.9 mttp -62.01 -39.59 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.45 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.08 -41.07 82.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.552 0.691 . . . . 0.0 111.057 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -68.67 -43.38 76.3 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.794 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 14' ' ' LYS . 97.4 mt -55.32 -41.31 61.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 123.564 0.54 . . . . 0.0 109.631 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -58.11 -38.54 76.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.456 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.46 -49.39 41.88 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.564 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.57 -37.27 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 121.379 0.609 . . . . 0.0 110.285 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.55 -52.44 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.684 0.794 . . . . 0.0 112.492 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.18 -19.08 65.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.806 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB2' HD11 ' A' ' 6' ' ' LEU . 86.6 t60 -62.54 -37.1 84.8 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.77 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.61 -16.9 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.338 0 C-N-CA 119.457 -1.354 . . . . 0.0 112.433 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.26 132.04 42.81 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.563 ' O ' HG23 ' B' ' 31' ' ' VAL . 12.4 m-20 -71.8 168.13 18.49 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.436 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 24.6 t60 -62.14 -37.17 84.18 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.601 . . . . 0.0 109.537 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.293 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 35.1 mmtm -60.53 -42.24 96.09 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.087 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.5 t -64.71 -43.25 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.768 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.8 mt -62.51 -43.09 99.67 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.28 -44.42 68.43 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.314 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -64.38 -45.73 86.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.135 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.2 p -59.91 -46.19 90.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 11.1 ptm180 -72.17 -33.4 67.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.55 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.693 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 7.2 t70 -75.21 -37.33 61.17 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.665 0.745 . . . . 0.0 109.136 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.93 -42.58 89.9 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.423 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.96 -39.22 88.7 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.093 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.693 ' HG3' ' O ' ' B' ' 37' ' ' ASP . 1.7 pptp? -70.4 -31.73 69.07 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 120.863 0.363 . . . . 0.0 111.861 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.62 -42.93 95.19 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.487 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.9 mt -69.6 -56.48 11.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.912 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -51.54 -35.53 41.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.984 0.513 . . . . 0.0 111.742 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 -52.59 64.86 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -75.84 -30.97 59.13 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 85.6 mtp . . . . . 0 C--N 1.318 -0.77 0 C-N-CA 122.34 0.256 . . . . 0.0 111.034 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 . . . . . 0 C--O 1.238 0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.05 -46.41 67.93 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -27.94 66.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.69 -45.5 93.73 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.111 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -64.26 -37.46 87.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.48 -48.73 86.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.682 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -55.68 -51.08 68.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 123.554 0.534 . . . . 0.0 110.627 176.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.85 -49.52 73.08 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 124.39 1.056 . . . . 0.0 110.374 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -68.53 -43.81 75.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.008 -175.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 ttpt -55.06 -48.11 73.94 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 124.363 1.065 . . . . 0.0 108.703 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 18' ' ' ILE . 76.8 mttt -63.7 -41.15 98.16 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.408 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.26 -43.8 88.07 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.636 0.585 . . . . 0.0 109.726 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.05 -45.01 90.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.213 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LYS . 62.8 mt -58.78 -42.82 86.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -58.81 -38.22 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 110.302 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.3 mt -69.53 -49.24 56.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.898 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.8 m -66.47 -32.04 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.795 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.56 68.94 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 112.084 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -65.38 -19.04 65.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HB2' HD11 ' B' ' 6' ' ' LEU . 86.4 t60 -61.63 -29.34 69.99 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.512 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.09 2.41 0.23 Allowed Glycine 0 C--O 1.223 -0.584 0 C-N-CA 118.738 -1.696 . . . . 0.0 114.434 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -69.53 151.39 46.07 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.0 t70 -85.2 159.35 20.13 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 172.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.606 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 30.1 m80 -58.41 -27.82 64.65 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.2 t70 -60.93 -42.84 98.91 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.793 0.806 . . . . 0.0 109.499 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -72.06 -34.62 68.89 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.756 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 27' ' ' ASP . 49.1 t -66.77 -41.06 87.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 64.4 mt -64.11 -53.85 43.18 Favored 'General case' 0 C--O 1.205 -1.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.269 177.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.2 mt -59.81 -42.79 94.26 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.48 -52.03 66.19 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.504 ' HB3' HD13 ' A' ' 18' ' ' ILE . 30.7 p -59.53 -37.03 77.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 40.0 mtp85 -72.02 -43.37 65.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.8 t70 -75.84 -28.51 58.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.417 0.627 . . . . 0.0 110.044 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.48 -44.01 83.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.578 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 46.2 mtpt -54.7 -47.41 73.73 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.504 0.721 . . . . 0.0 111.528 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' B' ' 34' ' ' PHE . 2.2 tt -59.58 -48.0 83.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.411 HD12 ' HD3' ' A' ' 14' ' ' LYS . 67.2 mt -60.98 -54.03 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.557 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -53.62 -36.1 61.66 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.797 0.439 . . . . 0.0 111.397 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.43 -49.96 74.76 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.588 0.755 . . . . 0.0 111.297 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -77.92 -37.07 48.61 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.234 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' B' ' 21' ' ' VAL . 97.8 mmm . . . . . 0 C--N 1.307 -1.244 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.196 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.42 73.87 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.065 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -58.43 -48.66 79.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.256 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.66 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.19 -50.91 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 123.633 0.583 . . . . 0.0 110.512 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -57.71 -54.41 47.23 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.226 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.53 -41.79 77.36 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.691 0.62 . . . . 0.0 112.452 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.08 -47.41 62.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' B' ' 42' ' ' ILE . 28.1 ttpt -57.56 -43.9 84.84 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 123.706 0.803 . . . . 0.0 109.229 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.92 -39.27 93.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.724 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 42.0 mt-10 -55.22 -41.85 72.58 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.4 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.82 -45.89 66.85 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.866 -179.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.49 -40.29 81.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.57 -27.21 68.27 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.923 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 87.0 mt -74.05 -51.54 15.49 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.33 0.252 . . . . 0.0 111.204 176.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.5 m -63.03 -27.38 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.47 0.653 . . . . 0.0 110.805 176.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.29 -49.84 62.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.36 -7.54 32.15 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 19.3 t-80 -62.37 -46.89 86.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.7 42.55 0.05 OUTLIER Glycine 0 N--CA 1.422 -2.261 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.581 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.66 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 42.6 mt -85.48 132.65 34.17 Favored 'General case' 0 CA--C 1.489 -1.384 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.338 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.79 46.05 0.64 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 66.12 -53.63 0.4 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 126.153 1.781 . . . . 0.0 113.59 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.09 -38.62 83.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.66 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 46.2 mmtm -61.28 -42.24 98.3 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.823 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.8 -42.81 93.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.01 -46.99 79.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.487 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.44 -39.15 81.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.828 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.572 ' CD1' HD22 ' A' ' 41' ' ' LEU . 85.7 t80 -63.68 -52.97 58.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.662 0.601 . . . . 0.0 111.295 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -57.86 -42.73 85.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.401 0.438 . . . . 0.0 111.971 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.78 -28.78 60.88 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 11.8 t70 -81.83 -32.17 31.33 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.928 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.85 -38.52 91.41 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.9 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -45.63 93.38 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.068 174.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 48.0 mtpt -55.78 -49.51 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.609 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 56.5 tp -60.55 -43.11 97.57 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.696 0.623 . . . . 0.0 111.133 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.578 HD12 ' HD3' ' B' ' 14' ' ' LYS . 71.4 mt -64.76 -53.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.008 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.713 0.405 . . . . 0.0 110.615 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 39.5 ttmt -52.61 -39.75 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.774 1.23 . . . . 0.0 110.611 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 26' ' ' LEU . 26.4 m-85 -94.52 -12.53 27.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.1 mtp . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 0.0 109.837 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.6 mt-30 . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -58.18 -49.1 78.23 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.985 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -63.95 -37.75 88.55 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.53 -38.59 91.55 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 66.9 mttm -62.4 -49.37 75.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -57.39 -49.65 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.228 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.07 -52.82 61.99 Favored 'General case' 0 CA--C 1.503 -0.831 0 O-C-N 123.494 0.496 . . . . 0.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 123.865 0.728 . . . . 0.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -66.41 -46.64 75.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.957 0.408 . . . . 0.0 111.337 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.5 ttpt -57.77 -48.87 78.42 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.446 1.098 . . . . 0.0 109.177 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -63.08 -37.77 88.52 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.841 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.9 mt-10 -57.32 -45.15 84.54 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.349 0.595 . . . . 0.0 109.671 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.67 -43.02 81.2 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.713 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 76.4 mt -58.92 -42.43 85.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -61.13 -33.62 73.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.527 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 93.2 mt -73.15 -48.37 36.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.566 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.1 m -64.78 -31.9 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.029 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.82 -52.03 65.84 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.02 0.528 . . . . 0.0 111.272 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -63.54 -19.03 64.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.959 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.514 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.0 t-80 -57.1 -40.51 77.15 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.519 175.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.67 -3.92 0.21 Allowed Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 119.338 -1.411 . . . . 0.0 113.873 -177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -58.22 146.49 33.65 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.1 m-20 -77.67 164.21 25.5 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.557 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 44.7 t-80 -57.24 -39.78 76.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -57.1 -43.86 82.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.14 1.376 . . . . 0.0 110.758 176.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -66.76 -40.45 88.27 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.544 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.5 t -63.63 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 90.7 mt -62.46 -47.62 83.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 77.8 mt -67.42 -44.6 78.39 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -62.26 -50.28 72.33 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -58.67 -42.68 89.03 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -74.3 -39.05 63.15 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.916 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.27 -36.73 77.41 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 42' ' ' ILE . 20.5 tp -62.75 -49.75 73.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.253 175.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.09 -47.46 77.97 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 121.016 0.436 . . . . 0.0 110.165 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.2 -35.57 81.22 Favored 'General case' 0 N--CA 1.409 -2.483 0 C-N-CA 124.929 1.291 . . . . 0.0 112.267 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.19 -39.61 89.81 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.3 mt -67.42 -53.63 30.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.149 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -51.78 -35.55 44.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.365 1.066 . . . . 0.0 111.677 177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -64.08 -46.23 85.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.837 0.351 . . . . 0.0 110.706 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -76.66 -32.36 57.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.965 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 67.8 mtp . . . . . 0 C--N 1.322 -0.612 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.0 mmmt -61.49 -36.57 80.85 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.315 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -57.58 -44.58 85.45 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 123.691 0.619 . . . . 0.0 110.415 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -60.54 -47.07 87.81 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.2 -50.88 76.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.25 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 29.2 mm-40 -54.3 -50.78 66.53 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 123.76 0.662 . . . . 0.0 110.375 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.94 -49.05 79.32 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.296 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -38.19 80.87 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.143 0.497 . . . . 0.0 110.52 -176.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.491 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.18 -48.71 80.6 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 124.882 1.273 . . . . 0.0 109.339 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 29.7 mtpp -65.62 -30.85 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.918 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 48.4 mt-10 -64.43 -42.63 95.92 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.411 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -68.47 -45.68 71.77 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.492 -179.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 14' ' ' LYS . 96.1 mt -53.8 -44.04 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 123.533 0.521 . . . . 0.0 110.163 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.99 -23.66 60.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.746 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 86.8 mt -73.13 -48.55 34.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.4 t -59.83 -35.97 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.507 0.67 . . . . 0.0 109.918 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.44 -51.99 65.31 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.474 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.76 -5.24 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.067 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.6 t-80 -64.86 -37.47 87.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.78 33.1 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.864 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 29.3 mt -91.37 150.68 21.17 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 121.557 0.694 . . . . 0.0 111.706 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.527 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 m-20 -77.49 161.54 27.85 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.636 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 63.9 m-70 -61.78 -29.45 70.15 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.932 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.484 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 9.1 m-20 -65.27 -42.85 92.8 Favored 'General case' 0 CA--C 1.506 -0.745 0 O-C-N 123.349 0.405 . . . . 0.0 110.485 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -58.08 -46.74 84.96 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.713 0.633 . . . . 0.0 109.597 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 27' ' ' ASP . 46.5 t -58.32 -44.31 88.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 123.752 0.821 . . . . 0.0 110.168 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 95.5 mt -61.35 -50.17 74.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 69.8 mt -63.67 -42.02 98.12 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.308 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -64.88 -52.88 54.17 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.001 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 11.9 ptm180 -77.69 -36.67 50.93 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.504 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.71 -40.5 76.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.5 -44.27 96.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.541 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.67 -41.7 91.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.702 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 26.7 mtpp -67.82 -46.96 70.39 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.99 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.4 tp -55.77 -42.14 75.05 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 122.743 0.417 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.724 ' O ' ' HG3' ' B' ' 46' ' ' MET . 60.9 mt -65.05 -60.01 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.403 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.74 -32.66 67.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.651 0.38 . . . . 0.0 111.667 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -58.57 -51.63 69.06 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.764 1.225 . . . . 0.0 109.755 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.0 m-85 -74.39 -32.45 62.73 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.724 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.7 mtp . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 . . . . . 0 C--O 1.238 0.48 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.824 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 8.2 mmmt -61.89 -37.6 85.19 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.396 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -63.06 -38.45 91.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.892 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -65.08 -39.99 94.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.111 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -49.26 84.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.976 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 16.6 mm-40 -60.28 -43.63 96.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.72 -53.76 54.6 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.975 0.91 . . . . 0.0 110.732 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.92 -40.06 83.44 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.676 0.79 . . . . 0.0 111.115 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.1 ttpt -56.92 -47.75 79.86 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 124.089 0.956 . . . . 0.0 108.788 175.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.25 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.64 -45.25 85.72 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.563 0.697 . . . . 0.0 109.358 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -45.77 73.38 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.313 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.6 mt -55.44 -40.55 58.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 123.506 0.504 . . . . 0.0 110.026 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 54.3 mt-30 -64.38 -39.3 93.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.57 -47.84 74.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 26' ' ' LEU . 76.9 t -58.49 -44.72 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.646 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -58.22 -49.5 76.84 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 123.648 0.779 . . . . 0.0 111.933 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 15.6 ptm180 -67.29 -17.93 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 49.6 t-80 -59.75 -31.16 69.39 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 120.567 0.222 . . . . 0.0 110.625 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.08 -12.16 0.51 Allowed Glycine 0 C--O 1.239 0.441 0 C-N-CA 119.771 -1.204 . . . . 0.0 113.753 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -52.71 149.26 6.3 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -88.24 179.75 6.3 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.494 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.488 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 80.2 m-70 -67.01 -46.0 75.83 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.438 -176.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.38 -37.42 83.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.233 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.42 -43.44 98.86 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.737 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.4 t -65.48 -38.84 83.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.1 mt -62.92 -48.92 76.83 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.263 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.36 -49.04 77.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 79.3 t80 -57.35 -52.41 65.46 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.454 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.4 p -61.28 -43.0 99.59 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -74.47 -34.16 63.06 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 28.5 t70 -69.65 -35.68 75.4 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-O 122.147 0.975 . . . . 0.0 108.621 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.08 -46.04 45.46 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.069 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.84 -40.44 80.11 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.993 0.425 . . . . 0.0 110.669 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 16.8 pttm -67.47 -36.73 81.72 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.141 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 tp -68.64 -35.55 77.44 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.946 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' ' HG3' ' A' ' 46' ' ' MET . 64.0 mt -70.79 -57.36 7.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.525 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -58.03 -32.02 67.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.179 0.592 . . . . 0.0 111.524 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.19 -50.02 75.32 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.247 0.619 . . . . 0.0 110.53 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.24 -33.47 59.18 Favored 'General case' 0 CA--C 1.487 -1.472 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.694 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.2 mtp . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.457 -0.099 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -66.73 -29.3 69.24 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.036 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.07 -33.69 72.24 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.08 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -69.29 -35.53 76.1 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.37 -48.7 87.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.558 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 15.2 mm-40 -57.09 -48.06 79.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.689 0.618 . . . . 0.0 109.576 175.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.7 -52.18 60.87 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.25 1.02 . . . . 0.0 111.308 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 0.5 OUTLIER -70.98 -39.53 72.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.797 -175.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -55.27 -49.94 70.78 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 108.635 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.58 -36.42 84.18 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.326 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.79 -35.99 81.66 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 121.191 0.519 . . . . 0.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -43.63 54.62 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.767 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 72.5 mt -57.8 -41.91 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -57.01 -41.19 78.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -52.66 52.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.066 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.402 HG23 HD12 ' B' ' 26' ' ' LEU . 3.5 m -63.04 -32.34 55.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.04 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.94 -45.21 71.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.415 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.89 -6.58 48.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.421 . . . . 0.0 111.546 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -75.61 -20.95 58.2 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.55 38.85 0.11 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 64.7 mt -100.13 138.32 37.36 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.858 0.837 . . . . 0.0 111.661 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.537 ' O ' HG23 ' B' ' 31' ' ' VAL . 19.8 t70 -72.54 161.16 31.15 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.578 -1.646 . . . . 0.0 106.75 173.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.667 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 39.0 m80 -49.83 -36.96 28.58 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.592 0.558 . . . . 0.0 110.408 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.35 -47.67 85.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.694 0.797 . . . . 0.0 111.199 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -65.76 -39.28 90.89 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.942 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -64.34 -43.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.0 mt -62.95 -50.16 71.91 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.273 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.2 -42.32 96.68 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.366 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -63.81 -51.33 65.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.31 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.1 p -60.04 -42.06 93.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -68.02 -38.98 83.22 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.2 -43.34 61.5 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -57.52 -45.24 85.22 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.89 0.876 . . . . 0.0 111.04 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.88 -40.61 96.01 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.59 -30.49 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.703 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.1 tt -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.507 ' O ' ' HG2' ' B' ' 46' ' ' MET . 68.2 mt -66.65 -45.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.622 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -57.07 -36.0 70.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 120.572 0.225 . . . . 0.0 111.352 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' B' ' 45' ' ' PHE . 37.0 ttmt -55.7 -48.94 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.911 0.884 . . . . 0.0 109.958 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.51 ' CE2' ' HD2' ' B' ' 44' ' ' LYS . 75.4 m-85 -86.79 -20.67 27.25 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 11.9 mmt . . . . . 0 C--O 1.247 0.943 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.9 tm? -58.17 -50.79 72.28 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 124.094 0.871 . . . . 0.0 110.59 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mmmp? -68.55 -33.7 74.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 123.588 0.555 . . . . 0.0 109.766 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.0 -50.11 75.32 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.055 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.533 HG12 ' HB3' ' B' ' 20' ' ' LEU . 73.4 mt -55.18 -48.1 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 123.905 0.753 . . . . 0.0 111.16 177.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 12.6 mm-40 -60.99 -49.75 76.16 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.336 0.397 . . . . 0.0 110.731 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.9 t30 -59.2 -46.16 89.17 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -66.0 -44.91 83.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.885 0.474 . . . . 0.0 110.552 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -55.03 -50.73 68.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.471 1.109 . . . . 0.0 108.256 175.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' ILE . 8.4 mtpm? -65.17 -34.15 77.7 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.434 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 43.6 mt-10 -61.71 -42.75 99.36 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -44.26 77.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.678 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 73.8 mt -57.59 -40.97 78.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.944 0.402 . . . . 0.0 110.008 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.71 -33.45 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.995 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 10' ' ' ILE . 96.1 mt -73.78 -49.56 24.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.717 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 10.8 m -62.99 -31.24 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.334 175.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.3 -48.92 76.08 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -69.43 -18.73 63.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.695 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 56.3 t-80 -56.57 -40.99 76.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.0 46.52 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.401 -0.905 . . . . 0.0 112.682 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 23.2 mt -94.07 152.93 18.43 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.364 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.12 158.06 36.04 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 51.8 t-80 -59.0 -38.56 79.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 118.524 0.602 . . . . 0.0 110.04 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.75 -35.16 79.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.5 mmtp -63.81 -45.66 88.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.496 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.55 -42.68 81.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 124.026 0.828 . . . . 0.0 109.853 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 71.5 mt -66.97 -52.3 44.49 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -41.09 97.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.567 0.222 . . . . 0.0 111.377 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 77.1 t80 -61.59 -51.47 68.42 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.382 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.485 ' HB3' HD13 ' A' ' 18' ' ' ILE . 22.3 p -61.44 -41.29 96.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 46.6 mtp180 -63.72 -42.28 97.95 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 21.3 t0 -73.73 -44.63 55.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.988 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 6.7 tt -62.02 -38.28 88.07 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.97 -37.23 79.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.213 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -74.02 -34.26 64.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.566 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.27 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 46' ' ' MET . 56.8 mt -68.37 -57.11 10.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.304 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -55.57 -34.35 64.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.133 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -57.84 -49.92 75.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.363 0.602 . . . . 0.0 109.823 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -76.42 -33.92 58.8 Favored 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.5 mtp . . . . . 0 C--N 1.323 -0.578 0 O-C-N 123.476 0.485 . . . . 0.0 109.998 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.43 81.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.73 -37.49 87.54 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.606 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.8 -43.03 89.91 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 20' ' ' LEU . 62.6 mt -59.12 -49.09 84.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.591 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -57.23 -50.19 73.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.625 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.49 -45.14 89.31 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.547 0.529 . . . . 0.0 111.967 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.412 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 15.1 tppt? -66.86 -43.57 83.27 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.93 0.395 . . . . 0.0 110.468 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -56.43 -48.86 76.13 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 124.295 1.038 . . . . 0.0 108.732 174.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 18' ' ' ILE . 84.6 mttt -62.38 -38.85 91.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.539 0.736 . . . . 0.0 112.131 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.68 -44.59 90.26 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.407 0.622 . . . . 0.0 109.658 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -40.96 95.22 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.106 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -60.49 -40.64 84.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.5 mt-30 -58.66 -41.25 85.68 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.293 0.568 . . . . 0.0 109.975 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 10' ' ' ILE . 4.8 mp -63.65 -52.67 59.7 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.363 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.7 m -66.36 -27.65 41.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.327 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.36 62.91 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 122.156 -0.34 . . . . 0.0 111.571 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -72.59 -14.2 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.088 0.47 . . . . 0.0 109.963 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.7 t60 -63.16 -38.15 90.05 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 172.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.08 49.65 0.08 OUTLIER Glycine 0 N--CA 1.428 -1.891 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.441 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.1 mt -88.91 152.35 21.78 Favored 'General case' 0 CA--C 1.486 -1.49 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.155 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.404 ' O ' HG23 ' B' ' 31' ' ' VAL . 9.9 m-20 -71.35 166.52 21.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.6 t-80 -61.32 -41.01 96.31 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.486 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 14.0 m-20 -68.91 -36.6 78.22 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.22 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.6 mmtm -57.19 -47.38 81.41 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.095 0.247 . . . . 0.0 110.552 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' ASP . 35.1 t -60.39 -40.94 85.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.543 0.527 . . . . 0.0 110.233 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.0 mt -66.39 -53.28 37.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.0 mt -62.85 -42.93 99.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.403 ' CE2' HD22 ' B' ' 38' ' ' LEU . 78.6 t80 -62.76 -53.59 51.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 56.4 p -57.96 -39.14 77.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -75.34 -38.72 60.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 16.7 t70 -74.52 -32.19 62.4 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 42' ' ' ILE . 31.0 tp -62.26 -51.79 66.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.496 173.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.74 -45.41 78.03 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.352 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 73.6 tttt -58.22 -51.82 68.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 125.962 1.705 . . . . 0.0 111.161 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.14 -39.96 80.12 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.315 0.646 . . . . 0.0 110.505 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.2 mt -68.64 -54.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.163 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -54.09 -30.92 50.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.464 0.706 . . . . 0.0 112.333 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -49.1 76.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.562 0.696 . . . . 0.0 110.096 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.85 -27.44 57.82 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 50.3 mtp . . . . . 0 C--N 1.312 -1.059 0 CA-C-O 121.626 0.727 . . . . 0.0 110.467 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.52 -46.22 76.93 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -35.31 80.63 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 176.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -59.96 -38.15 81.64 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.974 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.11 -35.72 56.15 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.487 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.35 -50.29 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.03 -48.11 76.6 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.5 t-20 -56.23 -53.32 58.57 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.67 -35.19 74.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.9 ttpt -57.99 -49.19 77.69 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 124.424 1.089 . . . . 0.0 109.093 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.32 -34.81 78.15 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.75 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 12' ' ' ASN . 15.4 mm-40 -55.33 -44.31 75.76 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.745 0.783 . . . . 0.0 108.923 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -42.96 67.23 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.2 mt -59.93 -43.28 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -63.16 -33.24 75.05 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' B' ' 10' ' ' ILE . 4.7 mp -67.06 -54.74 18.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.778 175.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 8.8 m -61.93 -32.01 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.782 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.11 -48.65 79.2 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 122.944 0.498 . . . . 0.0 111.346 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.79 -18.64 64.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.5 t-80 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.328 0.392 . . . . 0.0 110.467 173.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.01 -9.29 0.44 Allowed Glycine 0 N--CA 1.436 -1.333 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.071 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -55.35 141.1 37.37 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.1 m-20 -76.77 163.59 26.66 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.494 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 79.3 m80 -58.33 -39.4 79.35 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 123.627 0.58 . . . . 0.0 110.558 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.52 -35.22 79.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.444 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.76 -38.62 83.68 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.116 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 27' ' ' ASP . 94.7 t -63.92 -39.48 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.878 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.7 mt -60.09 -47.66 84.94 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 176.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.13 -46.74 82.76 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.6 -48.98 75.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.487 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 p -60.66 -40.26 91.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -74.16 -40.05 62.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.479 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.84 -39.09 90.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.891 0.853 . . . . 0.0 108.807 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.01 -43.24 83.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.711 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.1 -42.12 97.93 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.939 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.88 -40.71 95.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.236 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 39.3 tp -61.94 -41.63 98.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.675 ' O ' ' HG3' ' A' ' 46' ' ' MET . 67.6 mt -65.85 -56.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.871 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -52.87 -34.42 54.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.714 0.806 . . . . 0.0 112.361 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.91 -49.62 76.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.481 0.712 . . . . 0.0 110.578 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.0 m-85 -80.96 -19.32 44.39 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 77.1 mtp . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.024 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -33.56 71.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -61.22 -44.82 96.67 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.02 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -43.84 91.45 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.107 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 20' ' ' LEU . 66.9 mt -48.89 -54.22 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.072 0.549 . . . . 0.0 112.196 173.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.36 -44.64 92.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.191 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.96 -47.11 86.29 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.247 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -70.97 -40.51 71.89 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 123.827 0.851 . . . . 0.0 110.539 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -52.55 -51.6 58.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.702 1.201 . . . . 0.0 108.738 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' B' ' 18' ' ' ILE . 58.8 mtpt -66.22 -34.78 78.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.661 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.88 -42.08 98.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.459 0.647 . . . . 0.0 109.776 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -70.42 -42.86 71.03 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.298 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.66 -42.24 59.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 109.665 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.24 -24.81 64.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.321 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.47 -47.09 18.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.4 t -61.66 -36.29 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 121.302 0.572 . . . . 0.0 109.724 174.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.583 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.97 -48.27 79.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.199 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -72.46 -4.88 32.99 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.873 0.368 . . . . 0.0 111.864 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.3 t-80 -68.63 -27.01 65.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.966 174.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.07 2.26 1.21 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.014 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -61.23 139.25 58.18 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.536 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 16.3 m-20 -74.03 171.69 13.03 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.91 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.476 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 14.9 p-80 -63.06 -42.68 99.75 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.071 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 20.5 m-20 -60.63 -39.42 88.16 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.584 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.536 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 33.9 mmtm -56.24 -47.45 78.47 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.551 0.532 . . . . 0.0 110.017 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 27' ' ' ASP . 36.1 t -63.02 -42.22 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.79 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.8 mt -63.4 -46.09 88.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.8 mt -66.12 -45.54 80.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.494 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.413 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 89.0 t80 -63.6 -50.31 69.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.245 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 49.6 p -60.46 -36.97 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 8.9 ptm180 -75.63 -37.69 59.52 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.53 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.03 -30.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.837 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.82 -42.91 90.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.933 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.91 -41.42 99.45 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.97 -48.41 80.05 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.208 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 29.1 tp -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.379 0.671 . . . . 0.0 111.806 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.11 -48.66 84.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.997 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.26 -28.94 70.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.7 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 37.7 ttmt -60.04 -27.51 66.99 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.464 1.106 . . . . 0.0 110.293 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD21 ' A' ' 26' ' ' LEU . 44.3 m-85 -111.34 -26.16 9.28 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 97.8 mmm . . . . . 0 C--N 1.297 -1.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.362 -176.674 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.586 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 20.1 mt-30 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.991 0.424 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.17 -44.66 45.38 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -31.32 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 21.1 t-20 -58.39 -40.52 82.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.632 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 43.5 mmtm -76.0 -34.2 59.72 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.14 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.44 -51.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 18.9 mm-40 -58.32 -48.74 79.57 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.714 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.47 -52.65 62.94 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.077 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 2.0 tppp? -69.79 -35.91 75.26 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 42' ' ' ILE . 35.8 ttpt -57.97 -46.74 84.67 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.007 0.923 . . . . 0.0 109.256 175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 8.8 mtpm? -68.46 -35.67 77.91 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 mt-10 -57.17 -43.43 82.58 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -68.01 -44.54 76.31 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.694 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.92 -42.56 86.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.57 -33.4 73.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.354 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 91.6 mt -67.85 -52.07 41.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.424 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.5 m -62.64 -32.01 54.03 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.138 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.927 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.69 63.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.881 0.472 . . . . 0.0 111.449 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 12.7 ptm180 -61.94 -18.5 60.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.953 0.901 . . . . 0.0 111.607 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.6 t-80 -54.36 -39.27 66.98 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 172.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.65 13.21 0.38 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.948 -1.12 . . . . 0.0 114.22 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -62.67 149.84 42.53 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 m-20 -69.43 157.44 37.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 41.1 m80 -62.35 -37.49 85.84 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.071 0.462 . . . . 0.0 110.754 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.7 t70 -62.9 -39.54 94.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.503 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 31.9 mmtp -62.39 -41.2 98.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.711 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.9 t -63.14 -41.66 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.8 mt -64.89 -47.82 76.45 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.715 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 89.2 mt -60.38 -47.29 86.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.817 0.341 . . . . 0.0 110.804 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.14 -49.94 73.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.219 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.2 p -60.23 -41.83 93.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.95 -35.2 64.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.13 -33.55 63.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.934 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.923 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.29 -46.81 88.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.24 -49.79 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.324 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 54.3 tp -58.26 -47.16 84.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 123.375 0.67 . . . . 0.0 111.413 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.93 -55.32 22.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -54.7 -33.26 60.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.576 0.35 . . . . 0.0 111.861 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 38.6 ttmt -57.99 -42.66 85.61 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.03 0.932 . . . . 0.0 110.086 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.53 -31.1 22.9 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.107 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 48.2 mtp . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -28.02 66.95 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -63.68 -43.49 96.5 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.85 -39.7 93.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.966 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.79 -51.94 66.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.518 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -54.19 -48.39 71.03 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.58 0.55 . . . . 0.0 110.368 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -61.45 -49.39 77.0 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.535 ' HE2' ' HD2' ' A' ' 13' ' ' LYS . 1.4 tpmt? -64.99 -41.34 95.49 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.553 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.7 ttpt -53.7 -53.15 56.13 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 124.975 1.31 . . . . 0.0 109.048 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.01 -38.06 89.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.293 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 45.5 mt-10 -61.38 -41.19 96.71 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 110.708 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.41 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -67.28 -45.42 76.63 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 178.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.7 mt -57.18 -42.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 O-C-N 123.569 0.543 . . . . 0.0 109.705 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.52 -32.01 69.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.885 0.474 . . . . 0.0 111.563 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 92.1 mt -79.09 -50.7 10.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.823 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.19 -27.95 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 C-N-CA 120.089 -0.644 . . . . 0.0 112.018 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -64.74 -46.3 82.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.995 0.426 . . . . 0.0 111.104 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 20' ' ' LEU . 19.7 ptp180 -73.84 -11.51 60.39 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.555 -177.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.95 -33.31 75.52 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.661 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.22 -18.88 0.23 Allowed Glycine 0 N--CA 1.434 -1.485 0 C-N-CA 119.4 -1.381 . . . . 0.0 112.69 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.4 mp -50.16 124.37 10.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.569 ' O ' HG23 ' B' ' 31' ' ' VAL . 17.0 t70 -73.76 168.59 19.08 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.058 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.65 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 61.1 m80 -57.53 -32.7 67.33 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.71 -36.05 77.96 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 34.4 mmtm -67.21 -44.71 78.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 114.418 -1.264 . . . . 0.0 109.963 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 27' ' ' ASP . 27.3 t -62.65 -40.8 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.631 0.582 . . . . 0.0 110.032 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.0 mt -62.37 -57.06 12.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.14 -42.63 95.26 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.022 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -63.85 -49.51 72.51 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.4 ' HB3' HD13 ' B' ' 18' ' ' ILE . 37.0 p -62.12 -36.51 81.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.769 0.319 . . . . 0.0 111.441 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.5 mtt180 -63.5 -52.37 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.679 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.05 -32.44 63.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.174 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.93 -42.91 97.22 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.28 -39.69 95.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -61.46 -48.65 80.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.173 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -57.81 -47.03 83.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.527 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.486 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.8 mt -61.52 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.061 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -53.29 -35.94 60.63 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 21.0 ttmm -57.19 -55.53 33.5 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 30.5 m-85 -78.3 -21.35 49.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 17.6 mtp . . . . . 0 C--N 1.314 -0.976 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.368 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 121.165 0.507 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.46 -44.02 88.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.5 mmmt -63.56 -32.44 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.049 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.31 -43.36 91.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -62.33 -45.27 93.99 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.552 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' B' ' 20' ' ' LEU . 62.0 mt -55.62 -48.33 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 122.831 0.452 . . . . 0.0 111.749 174.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 48.4 mm-40 -57.26 -48.31 79.18 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 120.723 0.297 . . . . 0.0 110.563 177.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.86 -45.48 94.38 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.495 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 13.6 tppt? -64.48 -45.16 88.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.109 0.481 . . . . 0.0 110.851 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' A' ' 18' ' ' ILE . 39.1 ttpt -56.3 -49.01 75.5 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 124.518 1.127 . . . . 0.0 108.561 176.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 41.6 mttm -63.54 -42.04 98.43 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.926 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' HD22 ' A' ' 20' ' ' LEU . 39.1 mt-10 -55.33 -44.72 76.16 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -65.96 -45.7 80.79 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.049 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 14' ' ' LYS . 69.4 mt -56.64 -39.09 60.8 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.715 0 O-C-N 123.694 0.621 . . . . 0.0 109.458 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -56.66 -43.98 80.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.189 0.306 . . . . 0.0 111.609 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD22 ' O ' ' A' ' 16' ' ' GLU . 1.8 mm? -67.22 -52.09 45.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.421 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.3 p -66.93 -32.16 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 119.771 -0.771 . . . . 0.0 113.023 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.31 -48.56 81.21 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 122.168 -0.333 . . . . 0.0 110.932 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -70.49 -19.33 62.94 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.535 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.9 t-80 -51.36 -56.01 15.4 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.591 0.557 . . . . 0.0 110.02 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.63 16.48 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.934 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -77.42 145.3 37.25 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.573 0.701 . . . . 0.0 111.887 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.9 m-20 -83.54 175.16 9.98 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.475 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 52.5 p-80 -59.73 -44.18 93.88 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.418 0.627 . . . . 0.0 109.681 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.9 p-10 -63.86 -35.34 80.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.726 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -68.21 -41.11 81.81 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.419 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.5 t -64.1 -38.85 83.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mt -66.82 -47.96 70.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.291 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 95.4 mt -62.16 -44.05 97.48 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' B' ' 41' ' ' LEU . 60.8 t80 -62.33 -54.81 35.15 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -59.01 -37.81 77.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 6.1 ptm180 -74.14 -37.86 63.92 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' HD21 ' B' ' 41' ' ' LEU . 26.6 t0 -74.29 -40.19 62.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.021 1.328 . . . . 0.0 110.383 174.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -41.39 87.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.771 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 55.6 mtmt -63.32 -42.39 99.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.182 178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.55 -44.15 97.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.221 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.625 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.09 -54.34 34.65 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.411 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.19 -29.61 61.11 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.2 0.6 . . . . 0.0 111.645 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -65.68 -45.34 83.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.87 -32.73 34.84 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.578 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 39.1 mtp . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.199 0.523 . . . . 0.0 109.889 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -32.74 73.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.11 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -64.76 -39.57 93.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.855 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.03 -36.02 79.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.535 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 20' ' ' LEU . 69.1 mt -59.33 -52.01 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 14' ' ' LYS . 11.8 mm-40 -53.73 -55.08 29.42 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.991 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -67.45 -39.17 85.35 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.455 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.1 ttpt -55.86 -50.82 69.56 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 124.579 1.152 . . . . 0.0 108.427 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -60.25 -40.39 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.123 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.9 -41.07 90.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.178 0.514 . . . . 0.0 109.914 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -67.42 -43.33 81.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.761 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 73.6 mt -59.35 -39.91 80.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -59.43 -40.59 87.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.616 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.1 mp -64.73 -55.4 20.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.392 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 5.5 m -62.13 -27.54 42.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.667 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.49 -47.09 65.0 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -73.09 -10.55 59.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.101 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 50.9 t-80 -62.86 -39.5 94.6 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.67 36.9 0.04 OUTLIER Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.881 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.577 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.3 mt -88.13 152.01 22.3 Favored 'General case' 0 CA--C 1.487 -1.445 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.122 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.0 m-20 -78.26 162.55 26.46 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 173.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 13.6 t-80 -62.17 -38.53 89.39 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 118.932 0.787 . . . . 0.0 110.582 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.63 -28.91 68.85 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.23 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 30.8 mmtp -66.77 -45.63 77.9 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.8 t -59.23 -43.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.744 0.653 . . . . 0.0 109.58 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 74.4 mt -61.81 -54.6 39.97 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.081 0.552 . . . . 0.0 111.15 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -39.2 93.51 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.345 0.403 . . . . 0.0 111.526 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.68 -52.99 38.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.108 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.1 p -58.04 -37.99 75.41 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 15.9 ptm180 -73.91 -44.41 55.23 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.614 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.38 -30.21 65.86 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.795 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.458 ' O ' HG13 ' B' ' 42' ' ' ILE . 41.5 tp -64.65 -48.43 74.84 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 123.328 0.651 . . . . 0.0 110.2 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.92 -43.23 91.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.914 0.864 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -65.28 -40.57 94.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 C-N-CA 125.399 1.48 . . . . 0.0 111.895 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 34' ' ' PHE . 2.3 tm? -62.14 -41.72 98.54 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.701 ' O ' ' HG3' ' B' ' 46' ' ' MET . 61.6 mt -68.97 -49.44 63.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.605 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -53.72 -32.41 51.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.203 0.601 . . . . 0.0 112.276 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -57.54 -40.65 79.32 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 122.019 0.914 . . . . 0.0 109.759 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.44 ' HB3' HD21 ' A' ' 26' ' ' LEU . 64.2 m-85 -90.47 -22.05 21.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.084 -0.962 . . . . 0.0 113.424 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.701 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 53.8 mtp . . . . . 0 C--N 1.299 -1.597 0 CA-C-O 121.159 0.504 . . . . 0.0 110.856 -177.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.13 -44.51 95.37 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -37.32 86.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.87 178.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.99 -40.96 99.34 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.37 -39.81 92.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.556 177.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.469 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.6 mt -60.09 -50.52 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.86 -52.47 64.98 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.047 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -66.56 -40.29 88.95 Favored 'General case' 0 C--N 1.312 -1.047 0 O-C-N 123.721 0.638 . . . . 0.0 111.607 -174.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -67.82 -42.47 81.43 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.147 0.499 . . . . 0.0 110.153 -177.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' A' ' 42' ' ' ILE . 34.6 ttpt -60.54 -45.25 94.57 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.118 0.967 . . . . 0.0 109.212 174.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 38.2 mttp -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 122.852 0.461 . . . . 0.0 111.684 178.292 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.9 mt-10 -56.71 -39.84 74.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.729 174.111 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.2 tm? -68.95 -44.71 72.46 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.0 mt -57.26 -40.03 71.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 94.0 mt-30 -65.19 -33.12 75.26 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.002 178.326 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 94.9 mt -71.06 -49.92 39.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.292 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.6 t -61.05 -33.27 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-O 121.59 0.71 . . . . 0.0 110.215 175.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.36 69.54 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.004 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -67.19 -19.52 65.57 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.728 0.299 . . . . 0.0 111.517 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.8 t-80 -57.81 -29.53 64.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.04 174.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.75 39.98 0.25 Allowed Glycine 0 N--CA 1.431 -1.649 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.29 177.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.8 mt -94.95 147.41 23.41 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.979 177.074 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.8 m-20 -72.87 168.01 19.79 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 175.287 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.613 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.4 t-80 -58.16 -42.89 86.97 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.261 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.18 -39.95 94.41 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.106 178.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.0 mmtm -63.93 -47.51 80.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.7 t -58.98 -42.43 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.391 0.432 . . . . 0.0 109.966 178.515 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 72.6 mt -65.69 -46.95 77.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.31 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.99 -46.63 89.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.33 0.394 . . . . 0.0 110.295 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.77 -53.25 58.52 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.108 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -59.79 -41.64 91.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -72.34 -36.97 68.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.646 -178.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.63 -40.83 72.88 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -61.9 -47.11 86.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.722 176.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.31 -49.57 75.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.41 -31.74 72.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 52.3 tp -65.79 -43.79 87.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.409 0.623 . . . . 0.0 109.54 175.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' MET . 76.2 mt -67.4 -47.17 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -33.37 70.68 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.411 0.444 . . . . 0.0 110.859 178.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.4 ttmm -57.49 -49.04 77.58 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.443 0.64 . . . . 0.0 109.672 176.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.89 -19.26 58.97 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.63 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 53.1 mtp . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.366 0.603 . . . . 0.0 110.079 175.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.4 mmmt -61.29 -39.25 89.74 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.47 176.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.4 -42.12 98.77 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.453 0.471 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -61.18 -45.23 95.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.499 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.25 -50.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 30.1 mm-40 -55.96 -51.93 65.94 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.7 0.625 . . . . 0.0 110.512 178.094 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -59.45 -46.96 87.27 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -68.01 -38.66 82.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.883 0.373 . . . . 0.0 110.155 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -56.43 -48.84 76.17 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 108.963 176.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 60.1 mtpt -64.98 -39.72 93.89 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.949 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.509 ' O ' HD22 ' B' ' 20' ' ' LEU . 47.4 mt-10 -58.59 -40.59 83.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.964 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.3 mt -53.76 -40.84 45.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 O-C-N 123.958 0.786 . . . . 0.0 109.115 179.273 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -56.92 -42.05 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.013 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.509 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.0 mm? -69.87 -48.68 57.85 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.721 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 17.0 t -62.57 -35.19 69.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-O 121.329 0.585 . . . . 0.0 110.942 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -67.61 -45.12 76.35 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.709 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -75.76 -5.29 45.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 0.0 111.038 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 33.4 t-80 -68.58 -38.95 81.12 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.13 39.15 0.03 OUTLIER Glycine 0 N--CA 1.433 -1.533 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.872 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' B' ' 30' ' ' LYS . 63.3 mt -96.38 118.44 32.91 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-O 121.869 0.843 . . . . 0.0 110.304 176.044 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.73 67.03 5.39 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.773 -177.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.248 1.819 . . . . 0.0 115.221 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.24 -34.61 77.82 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 26' ' ' LEU . 43.3 mmtm -61.8 -42.36 98.92 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.626 174.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.25 -45.45 98.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 85.0 mt -58.65 -57.36 13.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.653 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.7 -39.67 85.36 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 123.318 0.386 . . . . 0.0 111.567 -178.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 42' ' ' ILE . 57.2 t80 -60.9 -53.39 57.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.706 177.094 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -36.19 76.57 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.0 mtt180 -66.89 -45.62 77.46 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 122.722 0.409 . . . . 0.0 111.344 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.5 t70 -74.45 -38.44 62.98 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.034 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.48 -45.49 93.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 175.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.63 -40.7 88.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.502 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 21.3 pttp -76.03 -33.7 59.65 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.669 -177.472 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' HE2' ' B' ' 44' ' ' LYS . 51.9 tp -63.75 -38.32 90.68 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.178 0.513 . . . . 0.0 110.131 177.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 64.6 mt -71.2 -59.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.003 -178.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.06 -31.73 61.36 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 123.266 0.626 . . . . 0.0 111.776 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.422 ' HE2' HD12 ' B' ' 41' ' ' LEU . 40.0 ttpt -60.15 -56.14 25.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.247 0.619 . . . . 0.0 110.081 176.017 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.31 -26.76 64.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.79 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 61.6 mtp . . . . . 0 C--N 1.315 -0.933 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 4.1 pt20 . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 120.938 0.399 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.01 -45.53 70.3 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 5.5 mmmt -65.49 -34.54 78.5 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.827 176.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.7 -38.82 90.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.5 mttm -62.65 -47.11 85.14 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.603 HG12 ' HB3' ' B' ' 20' ' ' LEU . 81.3 mt -55.1 -49.1 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.171 175.009 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 13.0 mm-40 -57.35 -52.19 66.37 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 123.226 0.329 . . . . 0.0 110.516 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.92 -43.96 91.21 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.836 0.71 . . . . 0.0 110.984 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.25 -48.25 68.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.095 -178.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.5 ttpt -56.91 -44.4 82.34 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 124.513 1.125 . . . . 0.0 109.532 176.327 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 29.7 mtpp -64.93 -38.28 90.43 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.717 177.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.2 mt-10 -56.8 -41.32 77.54 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.346 0.594 . . . . 0.0 109.444 175.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -71.0 -44.53 65.72 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.419 -179.034 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.4 mt -58.91 -42.42 85.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 24.2 mt-30 -64.69 -32.31 73.93 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.775 177.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 89.8 mt -67.34 -53.32 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.532 -0.27 . . . . 0.0 111.443 176.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.0 m -62.69 -31.7 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.356 176.3 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.75 81.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.493 -179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.8 ptp180 -67.15 -18.93 65.5 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.614 0.571 . . . . 0.0 111.115 -178.073 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 41.9 t-80 -60.61 -28.93 68.9 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.807 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.33 41.25 0.2 Allowed Glycine 0 N--CA 1.427 -1.933 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.617 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.692 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 26.7 mt -91.04 151.12 21.16 Favored 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.618 175.216 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.9 m-20 -73.07 164.81 26.15 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 172.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 38.6 t-80 -60.54 -37.24 80.56 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 176.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.54 -45.81 77.18 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.899 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.5 mmtm -68.61 -39.99 80.61 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.957 -177.259 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.7 t -61.86 -42.04 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.6 mt -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.95 -45.35 90.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.04 -51.53 63.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.084 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -64.13 -35.25 80.14 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 1.7 ptm180 -72.34 -43.37 64.18 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.203 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.78 -44.62 80.85 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.7 -45.05 82.05 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.954 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.86 -38.72 86.89 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.168 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 1.3 mptm? -66.79 -39.5 87.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.803 175.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.78 -45.81 88.96 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.14 0.495 . . . . 0.0 109.799 175.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 46' ' ' MET . 60.1 mt -64.41 -46.89 91.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.736 177.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -54.63 -39.29 67.81 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 120.648 0.261 . . . . 0.0 110.853 178.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.87 -48.91 78.45 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.253 1.021 . . . . 0.0 111.052 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -81.09 -30.31 34.71 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.34 -178.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 98.8 mmm . . . . . 0 C--N 1.315 -0.893 0 CA-C-O 121.339 0.59 . . . . 0.0 109.44 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.472 0.177 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.63 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.329 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -70.74 -38.33 73.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.807 177.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.424 HG23 ' CD2' ' A' ' 17' ' ' LEU . 45.9 mt -59.75 -45.35 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.419 177.204 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -52.78 -55.43 22.95 Favored 'General case' 0 CA--C 1.507 -0.712 0 O-C-N 123.964 0.79 . . . . 0.0 111.07 175.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.9 -46.76 78.3 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.924 0.765 . . . . 0.0 111.696 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -65.21 -44.43 88.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.133 0.492 . . . . 0.0 110.991 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.537 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.9 ttpt -55.73 -48.04 75.89 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 124.576 1.15 . . . . 0.0 108.963 176.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.502 -1.226 . . . . 0.0 112.154 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.2 -44.24 75.14 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.24 -45.26 85.32 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.8 mt -58.65 -44.39 89.59 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 -178.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -59.38 -35.76 74.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.41 . . . . 0.0 110.611 177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.603 ' HB3' HG12 ' A' ' 10' ' ' ILE . 6.1 mp -67.12 -54.33 22.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.772 176.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.4 m -65.74 -27.02 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 CA-C-O 121.335 0.588 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.51 60.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.22 -15.79 63.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.977 0.418 . . . . 0.0 111.26 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 18.8 t-80 -57.29 -32.94 67.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.454 171.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.54 40.41 0.19 Allowed Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.374 178.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 20.9 mt -80.02 145.43 32.52 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.601 0.715 . . . . 0.0 112.296 177.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' B' ' 30' ' ' LYS . 4.9 m-20 -69.03 162.91 25.86 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 172.382 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 41.8 m80 -57.92 -43.11 86.04 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 118.062 0.392 . . . . 0.0 110.492 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -64.0 -35.59 81.21 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.864 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 32.2 mmtp -62.23 -45.05 95.06 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -177.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.58 -43.76 98.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.338 0.589 . . . . 0.0 109.482 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.8 mt -66.62 -46.25 76.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.728 -178.515 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.9 mt -68.03 -40.0 82.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.29 -51.1 65.16 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.325 0.391 . . . . 0.0 110.727 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -57.44 -45.08 85.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -73.03 -31.43 64.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 12.1 t70 -76.51 -40.82 48.98 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.65 -46.76 88.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.615 174.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.71 -45.1 93.15 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.39 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 55.9 pttt -69.21 -33.2 72.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.032 -177.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.01 -37.56 86.22 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' B' ' 46' ' ' MET . 55.9 mt -68.8 -53.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.233 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -51.69 -38.23 54.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.995 177.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.74 -56.11 24.3 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.67 0.606 . . . . 0.0 109.946 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -73.79 -24.71 59.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.636 -177.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 18.8 mtp . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.671 0.272 . . . . 0.0 110.925 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.75 -44.97 82.24 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.355 1.034 . . . . 0.0 110.402 177.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -43.8 95.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 178.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -66.52 -35.06 79.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.484 178.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.18 -42.46 99.38 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -59.83 -47.77 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.132 176.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 31.2 mm-40 -53.41 -52.38 59.56 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 124.063 0.852 . . . . 0.0 110.647 177.34 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -59.42 -48.1 82.91 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.191 -178.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.2 -36.57 79.77 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.095 0.474 . . . . 0.0 110.4 -176.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.57 -45.87 92.31 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 109.03 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.26 -40.78 94.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.234 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 mt-10 -55.62 -41.3 73.31 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.337 0.589 . . . . 0.0 109.858 174.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -45.74 69.41 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 178.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 15' ' ' LYS . 67.0 mt -54.96 -41.7 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 23.0 mt-30 -58.18 -44.17 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.455 0.702 . . . . 0.0 110.529 176.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 83.9 mt -66.63 -46.01 77.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HD13 ' A' ' 26' ' ' LEU . 49.0 t -59.76 -41.99 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 174.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.86 71.27 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.619 0.768 . . . . 0.0 111.949 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 20' ' ' LEU . 16.2 ptm180 -65.55 -19.01 65.75 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 25.7 t60 -59.05 -30.33 67.96 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 -2.67 1.65 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.724 -1.227 . . . . 0.0 113.768 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.4 mp -61.67 145.44 52.26 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 178.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.1 t70 -80.23 162.14 24.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.202 -1.363 . . . . 0.0 108.518 173.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.641 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 73.8 m80 -50.95 -40.41 57.34 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.786 0.834 . . . . 0.0 110.922 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.11 -40.44 86.86 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.401 0.619 . . . . 0.0 110.243 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.09 -43.45 92.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.542 179.448 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' ASP . 97.6 t -62.35 -44.06 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 123.117 0.567 . . . . 0.0 109.727 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 66.5 mt -63.41 -52.96 59.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 179.432 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -58.32 -42.33 86.5 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 120.607 0.242 . . . . 0.0 111.121 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 72.8 t80 -59.83 -51.45 69.69 Favored 'General case' 0 N--CA 1.435 -1.178 0 O-C-N 124.198 0.936 . . . . 0.0 111.024 177.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -67.03 -31.81 72.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.803 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 41.2 mtp85 -68.8 -40.28 79.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 109.884 178.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.13 -44.59 65.29 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 tp -57.35 -49.12 77.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.784 1.234 . . . . 0.0 111.752 177.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.68 -47.85 83.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 109.924 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.82 -34.04 77.42 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.155 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 50.7 tp -62.92 -41.29 99.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.632 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.6 mt -66.01 -55.17 20.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.369 178.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -53.86 -33.43 56.32 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.985 0.914 . . . . 0.0 111.275 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.66 -48.31 79.87 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 124.3 1.04 . . . . 0.0 110.631 177.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.23 -28.02 34.99 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.6 mtp . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 176.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.8 tm? . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -63.46 -37.4 87.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.272 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.6 -28.61 67.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.497 179.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -75.69 -32.84 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.9 -44.67 98.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.995 173.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 36.6 mm-40 -54.94 -49.83 70.37 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 123.845 0.716 . . . . 0.0 109.31 174.319 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.63 -52.3 60.33 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -67.88 -40.22 83.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.866 -176.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -53.8 -50.84 65.25 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.481 1.112 . . . . 0.0 108.475 174.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.61 -42.36 98.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.663 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -45.62 81.01 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.477 0.656 . . . . 0.0 110.493 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -42.12 82.0 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.698 -178.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.2 mt -59.17 -40.81 81.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.919 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.76 -27.85 69.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -75.96 -50.03 16.07 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.331 178.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 1.1 m -65.93 -27.57 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.822 176.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.37 -43.48 77.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -72.36 -8.61 55.88 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.424 . . . . 0.0 111.809 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 38.8 t-80 -64.95 -26.11 68.16 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.269 172.581 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.79 38.16 0.22 Allowed Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.602 -0.809 . . . . 0.0 113.486 177.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 46.7 mt -93.41 151.98 19.4 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 121.58 0.705 . . . . 0.0 111.735 177.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.57 ' O ' HG23 ' B' ' 31' ' ' VAL . 13.1 m-20 -82.22 163.46 21.87 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 173.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.651 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 50.4 m80 -52.13 -39.88 60.54 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.088 0.404 . . . . 0.0 110.672 178.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.65 -47.36 85.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.479 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.554 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -63.16 -40.85 98.75 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.86 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 27' ' ' ASP . 33.2 t -62.55 -44.16 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.772 177.289 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.3 mt -63.33 -44.78 93.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.88 -41.06 92.03 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.367 0.417 . . . . 0.0 111.489 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.402 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 91.8 t80 -64.93 -49.09 71.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.44 178.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.481 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.4 p -61.43 -38.43 87.1 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 13.3 ptm180 -73.51 -37.24 65.74 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.11 -42.03 76.65 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.147 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.91 -41.66 97.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.996 177.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.269 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.5 -35.87 81.33 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.513 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.24 -44.64 96.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.354 0.597 . . . . 0.0 109.908 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' MET . 44.3 mt -68.97 -51.15 47.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.667 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.55 -27.92 68.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.802 0.334 . . . . 0.0 111.77 -179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.93 -54.59 43.1 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.761 0.824 . . . . 0.0 108.915 174.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' A' ' 26' ' ' LEU . 40.5 m-85 -74.74 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 14.6 mmt . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.4 mt-30 . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 121.156 0.503 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.76 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -60.66 -42.25 96.67 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.349 0.66 . . . . 0.0 109.446 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.01 -35.26 80.08 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.1 mmmt -69.23 -39.3 78.62 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.29 -52.19 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -50.98 -52.12 45.91 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 123.967 0.792 . . . . 0.0 111.064 177.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.84 -49.26 77.25 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.742 -178.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -70.02 -37.81 75.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.108 0.48 . . . . 0.0 110.356 -176.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' HD12 ' A' ' 42' ' ' ILE . 28.7 ttpt -59.78 -44.33 93.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.669 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.54 -38.33 86.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.017 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.38 -39.0 75.13 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.18 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -69.85 -45.44 67.76 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.177 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.5 mt -56.4 -42.81 75.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 123.371 0.419 . . . . 0.0 109.996 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.79 -34.05 75.19 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 177.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.03 -50.22 30.32 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.385 -0.197 . . . . 0.0 110.76 177.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 17' ' ' LEU . 36.9 t -59.51 -38.0 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 121.397 0.618 . . . . 0.0 110.177 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.3 -52.06 51.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.656 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.72 -19.0 65.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.638 -177.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.07 -42.65 81.03 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.05 38.25 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.116 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.703 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 47.1 mt -92.17 150.83 20.7 Favored 'General case' 0 CA--C 1.483 -1.616 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.779 176.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.2 t70 -79.36 158.64 27.4 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 172.161 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.5 t-160 -54.14 -34.23 59.83 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 123.277 0.361 . . . . 0.0 110.398 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 t70 -63.68 -46.01 87.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 178.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.1 mmtp -59.35 -43.99 92.73 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.047 178.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' ASP . 22.0 t -60.9 -42.24 91.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 122.429 0.292 . . . . 0.0 110.511 178.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 55.7 mt -63.14 -46.06 89.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 62.3 mt -66.86 -46.3 75.47 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.456 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CE1' HG12 ' B' ' 42' ' ' ILE . 57.0 t80 -61.79 -49.29 76.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 123.643 0.589 . . . . 0.0 111.696 -178.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 p -57.37 -46.16 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.365 0.416 . . . . 0.0 111.74 -177.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.23 -30.79 62.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.83 -46.58 35.59 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.7 tp -59.02 -43.42 91.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.807 176.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.6 -37.8 79.52 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.727 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.37 -31.2 42.84 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.424 -0.91 . . . . 0.0 110.769 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 4.8 tt -61.48 -37.7 84.58 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.3 mt -68.43 -55.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.386 178.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -54.98 -29.17 56.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.2 1.0 . . . . 0.0 112.02 177.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.7 ttmt -60.85 -46.9 88.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.414 1.086 . . . . 0.0 109.594 175.323 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -83.08 -29.49 28.73 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.55 -179.008 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 78.6 mtp . . . . . 0 C--N 1.318 -0.795 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.93 71.66 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -58.46 -45.07 89.35 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.035 172.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -70.74 -32.42 69.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.849 177.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 17' ' ' LEU . 49.4 mt -59.11 -48.56 86.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -52.72 -55.17 24.61 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 123.688 0.618 . . . . 0.0 109.942 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 5.9 t30 -51.48 -51.57 53.96 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.029 0.83 . . . . 0.0 112.373 178.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.11 -44.67 75.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.049 0.452 . . . . 0.0 111.274 -174.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' B' ' 42' ' ' ILE . 30.2 ttpt -57.28 -43.79 83.43 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 124.124 0.97 . . . . 0.0 109.606 177.002 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -72.52 -32.97 66.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.711 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 42.9 mt-10 -59.84 -40.91 90.14 Favored 'General case' 0 C--N 1.343 0.308 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 173.191 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.3 tp -67.68 -44.77 76.99 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.617 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.55 -43.68 65.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 123.575 0.547 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 49.0 mt-30 -65.94 -29.36 69.75 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.453 178.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.46 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 78.2 mt -74.73 -48.72 24.21 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.37 -0.206 . . . . 0.0 110.784 176.395 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.1 t -61.58 -31.88 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.479 0.657 . . . . 0.0 109.563 176.275 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -44.26 77.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.004 177.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 12.6 ptp180 -76.45 0.32 20.17 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.227 0.537 . . . . 0.0 111.778 -178.301 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 23.0 t-80 -67.79 -27.58 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.376 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.63 32.33 0.66 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.156 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.3 mt -76.17 148.11 37.99 Favored 'General case' 0 CA--C 1.488 -1.416 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.617 178.121 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.49 160.51 32.59 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.563 171.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.528 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 3.0 t60 -55.46 -43.73 75.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -178.189 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.78 -35.21 79.83 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.479 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.1 mmtm -64.98 -44.68 88.53 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 123.491 0.495 . . . . 0.0 111.608 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.76 -45.07 98.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.5 mt -58.22 -55.07 39.78 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.84 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -42.33 98.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.044 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.411 ' CE1' HD22 ' A' ' 41' ' ' LEU . 87.9 t80 -61.33 -49.9 75.1 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.356 0.41 . . . . 0.0 110.54 179.1 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -60.11 -32.44 70.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -74.72 -52.01 12.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.094 0.473 . . . . 0.0 110.626 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.21 -40.49 96.28 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.385 -174.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -71.82 -37.73 70.28 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.586 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.93 -44.09 97.01 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.69 -39.26 88.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.85 177.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.82 -42.59 93.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.457 HD12 ' HD3' ' B' ' 14' ' ' LYS . 69.9 mt -71.85 -44.33 67.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.264 178.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.31 -33.55 67.81 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.151 0.5 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.93 -49.14 75.96 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.716 177.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.59 -28.95 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.34 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.96 -41.25 78.22 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 172.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 11.1 mmmt -58.83 -38.28 78.32 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.321 174.316 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.54 -41.26 89.64 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.81 0.694 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -65.0 -47.14 78.57 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -57.43 -50.04 78.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.417 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 14.5 mm-40 -54.57 -51.51 65.02 Favored 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 123.842 0.714 . . . . 0.0 111.025 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.7 t30 -61.68 -47.49 85.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.317 0.385 . . . . 0.0 111.53 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.32 -40.41 97.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.05 0.452 . . . . 0.0 110.213 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.0 ttpt -57.7 -52.38 65.68 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 109.258 176.217 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 7.1 mtpm? -65.81 -34.0 77.14 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.771 -177.563 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 38.8 mt-10 -62.73 -42.72 99.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.0 175.063 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.2 tp -64.25 -46.41 83.88 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.024 178.008 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.3 mt -54.56 -44.76 70.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 123.953 0.783 . . . . 0.0 110.023 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 16' ' ' GLU . 48.7 mt-30 -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.524 0.515 . . . . 0.0 111.157 177.03 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.35 -47.63 66.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.3 t -63.56 -37.32 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 120.958 0.409 . . . . 0.0 109.922 176.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -65.11 -50.55 65.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.306 0.642 . . . . 0.0 112.489 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -61.71 -19.27 62.21 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.477 0.311 . . . . 0.0 111.834 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 44.6 t-80 -57.44 -28.48 63.35 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.575 0.75 . . . . 0.0 111.155 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.32 -2.6 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.185 -1.484 . . . . 0.0 114.007 178.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -60.52 149.73 33.61 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.8 m-20 -87.34 176.42 7.54 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.286 177.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 16.1 m-70 -66.22 -43.63 86.12 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.509 -178.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.84 -32.02 73.15 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 178.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.27 -45.71 79.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.456 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 27' ' ' ASP . 64.0 t -62.98 -40.48 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 78.8 mt -61.75 -53.51 55.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 177.634 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.864 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.86 -52.0 62.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 18' ' ' ILE . 71.8 p -66.15 -38.1 87.29 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.4 ptm180 -68.69 -34.02 74.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.953 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.9 -48.04 48.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 42' ' ' ILE . 31.3 tp -54.3 -50.74 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.769 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.76 -48.68 78.97 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.306 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.89 -36.57 83.77 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.733 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.51 -45.76 92.62 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.373 0.669 . . . . 0.0 110.387 177.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.644 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.1 mt -64.39 -56.84 14.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.734 -178.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.3 -29.37 61.11 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.069 0.948 . . . . 0.0 111.872 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.65 -49.82 69.51 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.647 0.779 . . . . 0.0 109.919 175.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' HB3' HD21 ' B' ' 26' ' ' LEU . 40.5 m-85 -73.82 -33.1 64.03 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.637 -179.262 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 68.2 mtp . . . . . 0 C--N 1.308 -1.211 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 mmmt -63.18 -36.74 84.63 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.041 177.021 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.46 -43.03 97.31 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.516 0.51 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.5 -46.61 89.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.01 -51.04 73.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 O-C-N 123.855 0.722 . . . . 0.0 110.206 178.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 31.4 mm-40 -57.22 -52.97 63.17 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.561 0.538 . . . . 0.0 111.208 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.73 -49.64 74.61 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 123.809 0.693 . . . . 0.0 110.924 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.78 -46.83 77.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.002 -176.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.554 ' O ' HG13 ' B' ' 18' ' ' ILE . 32.8 ttpt -57.0 -46.42 82.31 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.606 1.163 . . . . 0.0 110.208 177.085 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 8.0 mtpm? -67.49 -36.01 80.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.124 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' NE2' ' B' ' 19' ' ' GLN . 47.4 mm-40 -60.93 -35.81 77.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.14 0.495 . . . . 0.0 111.037 174.002 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -72.31 -45.46 59.87 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.873 177.337 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 14' ' ' LYS . 87.3 mt -54.69 -43.42 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.483 0.489 . . . . 0.0 110.156 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' B' ' 16' ' ' GLU . 43.8 mt-30 -59.08 -39.41 82.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.128 176.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.56 -48.64 66.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.044 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.572 ' O ' HD13 ' B' ' 26' ' ' LEU . 25.4 t -60.0 -42.67 90.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.036 0.446 . . . . 0.0 110.148 175.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 112.103 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.09 -9.94 55.14 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 49.5 t-80 -66.47 -30.14 70.41 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 120.775 0.321 . . . . 0.0 110.426 176.038 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.72 5.51 0.25 Allowed Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 119.258 -1.449 . . . . 0.0 113.842 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -63.76 151.18 42.81 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.853 0.835 . . . . 0.0 113.222 176.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.479 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.0 m-20 -85.6 169.18 13.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 173.275 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.529 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 64.8 m80 -60.49 -39.22 86.92 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 117.917 0.326 . . . . 0.0 110.74 179.282 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 52.9 m-20 -63.98 -39.68 94.67 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.159 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 48.9 mmtt -58.7 -44.41 90.31 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 178.18 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.8 t -62.13 -46.05 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.465 0.478 . . . . 0.0 109.819 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.9 mt -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.66 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.7 mt -70.43 -39.43 74.4 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -65.1 -51.98 58.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.301 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 p -60.49 -37.86 82.45 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -73.1 -36.68 66.81 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.997 -178.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 14.1 t70 -69.59 -45.18 69.22 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.139 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.553 176.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.34 -41.04 88.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.909 -179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 12.8 pttm -70.91 -33.7 70.81 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.557 -177.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.35 -38.02 89.52 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' B' ' 46' ' ' MET . 74.5 mt -68.1 -55.18 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.803 179.312 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.43 -42.76 61.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.484 0.713 . . . . 0.0 111.072 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.16 -48.46 78.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 178.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -80.03 -25.2 40.27 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.328 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.7 mtp . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 26.1 mm-40 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.821 0.343 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.4 -50.18 16.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.83 -34.05 72.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.588 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 13.5 t-20 -57.77 -41.54 82.21 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.288 1.435 . . . . 0.0 110.471 177.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 44.5 mmtm -75.36 -32.47 60.86 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.1 mt -67.91 -44.43 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.949 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 11.4 mm-40 -58.76 -50.62 73.25 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.702 0.626 . . . . 0.0 110.051 177.391 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.68 -50.22 74.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.87 -179.096 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.48 -41.78 92.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.188 0.518 . . . . 0.0 110.544 -175.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.9 ttpt -59.9 -44.8 94.05 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 124.294 1.037 . . . . 0.0 109.617 175.53 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 62.4 mtpt -65.94 -37.35 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.38 -42.28 81.83 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.116 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.6 -46.15 80.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.387 178.919 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.3 mt -57.54 -41.8 79.74 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 123.661 0.601 . . . . 0.0 110.032 -178.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.43 -39.47 93.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 176.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.9 -49.8 55.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.61 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.542 ' O ' HD13 ' A' ' 26' ' ' LEU . 6.8 p -66.31 -31.75 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.779 177.324 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -60.28 -51.54 69.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.791 0.329 . . . . 0.0 110.582 175.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -66.63 -17.62 64.93 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 32.6 t-80 -54.56 -41.45 69.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.296 173.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.77 -7.48 0.13 Allowed Glycine 0 N--CA 1.438 -1.226 0 C-N-CA 119.496 -1.335 . . . . 0.0 112.914 -176.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.57 144.56 31.31 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-O 122.164 0.983 . . . . 0.0 113.392 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.9 m-20 -78.35 159.78 28.19 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.457 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -64.6 -26.93 68.62 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 118.314 0.506 . . . . 0.0 111.898 178.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.3 t70 -68.05 -40.35 82.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.61 173.518 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -61.16 -38.25 85.79 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.154 177.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.1 t -65.09 -38.52 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 123.53 0.519 . . . . 0.0 109.828 -178.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -47.0 79.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.775 177.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 63.0 mt -66.65 -45.1 80.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.558 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 87.6 t80 -61.64 -52.35 64.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.08 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.4 p -62.49 -37.2 85.08 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -175.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.94 -41.43 64.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -178.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.96 -45.71 66.82 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 42' ' ' ILE . 40.8 tp -54.97 -50.07 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.599 1.16 . . . . 0.0 111.558 178.4 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.45 -47.47 76.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.097 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -67.84 -34.8 77.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.067 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.24 -40.61 90.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.056 0.455 . . . . 0.0 110.329 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.8 mt -65.97 -56.99 12.34 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.046 -179.691 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.97 -31.26 66.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.24 -178.471 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.84 -49.67 75.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.56 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 10.0 m-85 -74.04 -33.77 63.85 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.435 -179.616 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 62.6 mtp . . . . . 0 C--O 1.216 -0.703 0 O-C-N 123.612 0.57 . . . . 0.0 110.612 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -64.05 -34.46 78.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.761 179.085 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.128 177.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.02 -37.59 86.29 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 177.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.23 -47.62 91.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.865 176.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 72.3 mm-40 -59.58 -50.02 75.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.82 -52.17 51.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.701 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.83 -38.18 73.23 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.643 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.563 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.3 ttpt -56.63 -50.02 73.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.475 0.71 . . . . 0.0 109.248 175.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -60.45 -40.3 90.66 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.313 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -57.83 -41.38 82.16 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.252 0.548 . . . . 0.0 110.635 176.132 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 14' ' ' LYS . 12.6 tp -67.17 -45.11 77.98 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.844 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -56.88 -43.89 81.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.14 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.183 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -77.96 -47.44 18.55 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.097 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.73 -27.36 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 0 CA-C-O 121.464 0.649 . . . . 0.0 110.2 177.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.69 -45.62 71.17 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.187 178.352 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -75.08 -1.0 20.93 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.344 0.592 . . . . 0.0 111.643 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.5 t-80 -72.0 -29.0 63.77 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.792 171.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.57 -8.3 0.86 Allowed Glycine 0 CA--C 1.508 -0.358 0 C-N-CA 119.174 -1.489 . . . . 0.0 114.065 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -56.58 141.41 43.28 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 4.5 m-20 -75.5 176.08 7.9 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.499 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 62.2 m170 -68.59 -38.81 80.95 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.263 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -32.05 72.57 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 120.521 0.2 . . . . 0.0 110.737 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 31.4 mmtm -59.73 -45.63 91.58 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 27' ' ' ASP . 60.5 t -62.58 -43.96 98.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.387 179.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 94.2 mt -60.98 -52.88 63.14 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.182 0.593 . . . . 0.0 111.633 178.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.87 -39.83 95.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.7 -52.67 41.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 54.6 p -59.01 -39.4 81.75 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -175.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -73.34 -37.07 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.731 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -69.15 -40.81 77.97 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.93 -50.11 74.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.349 175.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.45 -45.91 84.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.961 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -56.3 -47.01 79.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 125.332 1.453 . . . . 0.0 110.502 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.78 -41.77 95.6 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.704 ' O ' ' HG3' ' B' ' 46' ' ' MET . 53.4 mt -67.83 -51.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.071 -178.176 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.31 -35.43 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.954 0.502 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.49 -45.32 92.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.732 178.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -78.72 -32.76 46.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.704 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.3 mtp . . . . . 0 N--CA 1.47 0.53 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.178 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.495 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.5 mm-40 . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 120.817 0.341 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.95 -51.68 68.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.728 -177.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -67.19 -28.48 68.13 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.057 179.545 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.66 -41.53 88.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.475 178.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.3 mmmt -68.7 -37.49 79.57 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.69 -51.5 69.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 175.372 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 33.3 mm-40 -52.83 -52.83 55.61 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 123.612 0.57 . . . . 0.0 111.452 178.022 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 45.8 t30 -60.07 -47.56 85.35 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.767 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 3.0 tppp? -69.51 -38.67 77.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -176.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 32.2 ttpt -59.44 -45.08 92.58 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.486 0.715 . . . . 0.0 109.657 175.457 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 28.4 mtpp -62.67 -42.71 99.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.205 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 mm-40 -55.91 -41.08 73.98 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 176.123 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.13 -45.23 81.77 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.814 178.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.4 mt -57.76 -43.02 83.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.725 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 70.9 mt-30 -59.16 -41.33 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.616 0.573 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.3 mt -66.38 -49.58 66.37 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.816 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.4 m -65.44 -31.34 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.889 177.179 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.13 68.49 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.245 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -67.58 -18.54 65.03 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.721 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.5 t-80 -55.26 -40.54 71.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 172.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.81 45.81 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.825 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.356 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.9 mt -93.8 147.77 22.75 Favored 'General case' 0 CA--C 1.477 -1.859 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.592 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 8.7 m-20 -65.94 160.26 23.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 171.07 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -63.9 -33.73 76.35 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.82 177.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.25 -35.36 80.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.467 174.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.7 mmtm -63.57 -45.14 91.83 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.8 -43.98 85.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.3 mt -61.02 -53.56 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.572 177.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.4 -39.69 94.06 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.578 -178.17 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 81.5 t80 -64.75 -50.1 68.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 178.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 p -64.55 -34.88 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 83.2 mtp180 -67.76 -44.27 77.89 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.651 178.292 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 11.2 t70 -72.94 -40.74 65.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.174 -176.756 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.6 -44.66 96.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.934 177.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -34.97 79.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.37 -177.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.4 pttm -69.74 -33.73 72.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.069 -178.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.83 -37.53 86.48 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' O ' ' HG2' ' A' ' 46' ' ' MET . 64.1 mt -73.31 -44.41 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.093 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -57.34 -36.91 71.76 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.834 0.35 . . . . 0.0 110.782 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.8 -48.47 78.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.899 178.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.3 m-85 -79.22 -28.03 42.51 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.1 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 7.2 mmt . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 173.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' B' ' 10' ' ' ILE . 2.6 tm? . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -38.14 89.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.727 0.411 . . . . 0.0 109.999 177.457 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.61 -42.27 98.64 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.649 0.78 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.69 -37.24 82.02 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.689 176.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 6' ' ' LEU . 64.4 mt -59.63 -51.07 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.136 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 63.1 mm-40 -54.62 -52.57 61.84 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 123.619 0.574 . . . . 0.0 110.084 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.82 -45.07 90.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.614 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.479 ' CE ' ' HA ' ' B' ' 13' ' ' LYS . 0.7 OUTLIER -70.22 -40.5 74.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.7 -175.701 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' B' ' 42' ' ' ILE . 34.2 ttpt -57.87 -46.35 84.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.323 175.201 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 30.3 mtpp -66.92 -41.41 87.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.826 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.1 mt-10 -58.37 -36.11 72.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 174.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.4 tp -68.55 -48.3 64.64 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.951 176.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.3 mt -53.36 -44.83 55.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 123.722 0.639 . . . . 0.0 110.248 179.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.34 -33.11 73.07 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.562 0.539 . . . . 0.0 111.292 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 88.9 mt -74.2 -46.9 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.273 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 17' ' ' LEU . 38.8 t -58.84 -38.27 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-O 121.394 0.616 . . . . 0.0 109.663 175.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -66.11 -49.41 67.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.025 0.93 . . . . 0.0 111.803 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 7.7 ptm180 -69.67 -6.33 30.83 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.909 0.385 . . . . 0.0 111.952 -177.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 29.0 t-80 -67.52 -35.87 79.92 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.233 174.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.03 -5.99 0.27 Allowed Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.753 -1.213 . . . . 0.0 112.718 -177.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -59.27 141.7 53.73 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 31' ' ' VAL . 27.0 m-20 -88.76 175.39 7.51 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 t-80 -56.93 -39.79 75.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.172 0.442 . . . . 0.0 110.637 -176.751 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.1 t70 -54.26 -47.31 72.43 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 124.538 1.135 . . . . 0.0 110.594 176.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 27.4 mmtm -65.23 -37.77 88.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.4 -178.008 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 27' ' ' ASP . 20.2 t -68.33 -39.21 80.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.1 mt -63.48 -57.69 9.41 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.828 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 61.8 mt -62.84 -37.09 85.43 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.529 -175.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.6 -50.75 63.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.751 178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.3 p -60.31 -38.38 83.52 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 93.9 mtt180 -65.53 -51.97 56.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.214 0.606 . . . . 0.0 111.21 178.79 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.05 -36.32 77.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.602 -174.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.6 -44.04 87.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.614 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.53 -48.53 81.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.086 -178.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -57.9 -42.83 85.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.522 177.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.2 -45.23 95.45 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.5 mt -66.26 -50.77 65.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.592 -179.448 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.28 -37.29 64.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.215 0.606 . . . . 0.0 111.159 178.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.86 -51.46 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.124 176.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.42 -33.17 64.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 36.8 mtp . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 121.333 0.587 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 CA--C 1.516 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.83 -43.51 92.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -59.83 -39.91 86.68 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.991 175.228 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -62.38 -41.98 99.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.726 0.641 . . . . 0.0 109.601 178.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.08 -49.84 75.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 177.2 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.454 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.1 mt -57.58 -49.38 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.522 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 50.1 mt-10 -59.27 -51.63 69.15 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 123.697 0.623 . . . . 0.0 110.944 178.597 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.62 -44.91 90.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 123.146 0.578 . . . . 0.0 111.783 -178.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -67.14 -41.5 86.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -178.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.8 ttpt -56.9 -46.92 81.59 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 124.735 1.214 . . . . 0.0 109.294 173.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -66.87 -37.01 83.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -178.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.48 -36.46 78.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.415 174.324 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HB2' ' HG3' ' B' ' 13' ' ' LYS . 1.4 tm? -72.14 -44.95 62.32 Favored 'General case' 0 N--CA 1.426 -1.675 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.4 mt -58.29 -40.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.414 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.45 -32.97 74.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.049 177.175 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.78 -50.45 35.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.958 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.0 t -61.37 -34.24 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-O 121.388 0.613 . . . . 0.0 110.521 177.217 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -50.41 57.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.12 -19.24 64.26 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 123.358 0.411 . . . . 0.0 111.598 -177.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -54.46 -41.09 69.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 174.143 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.23 37.98 0.13 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.411 -178.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 16.6 mt -83.74 149.48 26.43 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 121.745 0.783 . . . . 0.0 111.516 178.005 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.7 m-20 -74.28 161.44 29.9 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 174.145 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -59.75 -39.54 85.12 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.593 0.711 . . . . 0.0 109.648 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.1 m-20 -65.37 -27.05 68.3 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.54 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 34.1 mmtp -75.7 -46.21 32.52 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -177.166 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.21 -43.79 86.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 123.892 0.745 . . . . 0.0 109.648 178.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 29' ' ' ASP . 3.8 pp -69.65 -40.33 76.55 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.5 mt -69.44 -38.97 78.07 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.833 0.349 . . . . 0.0 110.558 179.035 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -64.6 -52.43 57.58 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 p -59.38 -37.54 78.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.55 -36.34 63.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.7 -44.03 52.14 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.63 -48.93 71.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.312 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.23 -38.26 86.0 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.875 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.84 -36.92 67.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.945 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.12 -42.26 90.18 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.654 ' O ' ' HG3' ' A' ' 46' ' ' MET . 69.5 mt -64.63 -57.25 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.248 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -51.81 -40.01 59.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 0.0 111.647 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.38 -50.72 72.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 111.128 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.88 -38.3 73.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 178.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 57.5 mtp . . . . . 0 C--N 1.321 -0.655 0 CA-C-O 121.349 0.595 . . . . 0.0 109.534 -179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.462 0.126 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 1.1 mmmt -60.7 -39.31 88.03 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 176.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -69.45 -33.98 73.73 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.246 0.341 . . . . 0.0 110.513 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -59.43 -46.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.47 -47.13 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.717 177.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 28.1 mm-40 -55.8 -50.26 70.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.69 0.619 . . . . 0.0 110.386 177.327 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -57.72 -48.4 79.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.434 0.458 . . . . 0.0 111.445 177.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 17' ' ' LEU . 13.7 tppt? -65.85 -44.01 86.74 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.463 0.477 . . . . 0.0 110.786 -176.602 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.9 ttpt -55.04 -51.66 65.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 125.089 1.356 . . . . 0.0 108.613 174.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.3 mtpm? -63.06 -39.72 95.57 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.837 -179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -57.81 -45.37 86.2 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.268 0.556 . . . . 0.0 110.062 175.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -42.95 90.04 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.145 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 81.0 mt -59.01 -41.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 27.3 mt-30 -62.53 -32.51 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.638 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.0 mt -72.52 -50.19 27.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.5 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.2 m -63.21 -26.35 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.814 175.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.35 66.47 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.341 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -71.97 -6.97 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 111.34 -179.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 34.6 t-80 -67.81 -28.71 67.81 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 171.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.92 44.7 0.29 Allowed Glycine 0 N--CA 1.431 -1.655 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.094 178.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.0 mt -86.9 156.41 19.84 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.054 175.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.5 m-20 -67.81 157.78 33.99 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 169.461 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.616 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.2 t-80 -61.06 -35.74 77.73 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.22 -41.0 96.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.056 176.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.668 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.9 mmtm -61.94 -44.1 97.48 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.688 178.424 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 27' ' ' ASP . 26.5 t -60.12 -43.84 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 76.3 mt -62.54 -46.01 90.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.207 179.114 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -36.85 76.38 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -68.54 -49.16 61.66 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 ptm180 -67.09 -35.55 80.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.503 -178.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.79 -46.54 62.68 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.26 -40.93 83.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.763 179.04 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.79 -47.66 76.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.35 177.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' B' ' 40' ' ' LYS . 11.3 mptt -69.48 -32.76 71.86 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.9 -42.35 77.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.37 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.93 -50.19 50.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.649 179.61 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.93 -25.91 65.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 111.767 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.18 -55.15 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 175.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.76 -27.21 63.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.868 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 CA--C 1.512 -0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.984 176.439 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.49 -46.2 90.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.004 177.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.16 92.4 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 177.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.17 -35.63 80.98 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.379 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.81 -45.13 87.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.159 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 20' ' ' LEU . 48.7 mt -55.32 -47.5 77.83 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.214 174.232 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 38.0 mm-40 -55.19 -52.98 61.58 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 123.65 0.594 . . . . 0.0 110.887 177.537 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.91 -47.64 84.27 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 123.438 0.461 . . . . 0.0 111.999 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -68.49 -38.93 81.43 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -175.287 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.7 ttpt -59.85 -48.85 80.03 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 124.381 1.072 . . . . 0.0 109.026 174.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 28.9 mtpp -64.04 -42.79 96.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 42.2 mt-10 -56.78 -39.63 74.41 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 0.0 109.751 175.609 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.56 -46.12 67.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.482 179.386 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 14' ' ' LYS . 87.5 mt -55.03 -42.37 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -178.724 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 91.8 mt-30 -62.19 -38.41 89.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.343 178.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 97.3 mt -70.04 -46.93 63.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.9 t -62.22 -41.43 91.39 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.975 174.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.97 -51.73 68.42 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.518 0.727 . . . . 0.0 111.848 -179.296 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -64.87 -18.32 65.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.43 -177.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 40.1 t-80 -58.64 -30.91 67.66 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.661 0.601 . . . . 0.0 111.132 176.284 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.05 0.41 0.18 Allowed Glycine 0 C--O 1.227 -0.306 0 C-N-CA 119.079 -1.534 . . . . 0.0 113.973 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 21' ' ' VAL . 9.6 mp -66.03 161.93 20.54 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 121.59 0.71 . . . . 0.0 112.089 177.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.6 m-20 -107.02 175.29 5.55 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.019 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 7.7 p80 -54.31 -47.71 72.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.678 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 p-10 -58.7 -38.78 79.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -68.1 -39.56 82.79 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.619 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 27' ' ' ASP . 44.4 t -64.43 -41.77 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 88.7 mt -61.37 -50.93 70.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.621 177.148 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 95.8 mt -60.11 -46.6 89.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.126 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' HD22 ' B' ' 41' ' ' LEU . 79.9 t80 -62.04 -51.85 66.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 p -62.69 -38.67 91.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -72.75 -37.95 67.53 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.586 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.69 -40.38 72.94 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.9 -42.64 99.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.219 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.48 -44.41 97.15 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.184 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.29 -38.25 90.39 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.14 -41.36 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.129 0.49 . . . . 0.0 110.063 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.63 -45.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.217 177.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -59.42 -29.12 67.52 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.051 178.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.45 -49.73 62.36 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 123.742 0.817 . . . . 0.0 111.138 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -77.07 -33.23 57.16 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 C--N 1.305 -1.366 0 CA-C-O 121.577 0.703 . . . . 0.0 109.617 177.93 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -34.85 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.65 -40.48 97.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.789 177.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.72 -36.75 76.17 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.166 176.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.79 -51.62 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -56.54 -50.37 72.08 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.652 0.595 . . . . 0.0 110.217 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -55.26 -47.57 75.27 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.181 0.593 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.74 -41.77 78.52 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 123.627 0.579 . . . . 0.0 110.129 -175.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.551 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.1 ttpt -56.25 -50.23 71.91 Favored 'General case' 0 C--O 1.21 -0.974 0 C-N-CA 124.228 1.011 . . . . 0.0 108.734 174.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 18' ' ' ILE . 28.9 mtpp -63.81 -36.28 83.38 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.316 0.646 . . . . 0.0 112.005 -179.159 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.43 -45.04 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 109.31 174.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -67.46 -42.67 82.65 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.739 -179.307 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.4 mt -56.91 -40.17 70.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 -178.269 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.87 -36.38 83.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.0 mp -65.36 -51.81 57.94 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 16.8 t -62.1 -32.26 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 CA-C-O 121.6 0.714 . . . . 0.0 110.477 175.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.43 -48.91 68.49 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.675 179.164 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -69.5 -8.43 46.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.971 0.508 . . . . 0.0 112.042 -178.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 11.0 t-80 -63.38 -43.85 96.42 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 171.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.6 39.41 0.08 OUTLIER Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 120.388 -0.911 . . . . 0.0 111.834 -178.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.7 mt -85.81 148.83 25.64 Favored 'General case' 0 CA--C 1.479 -1.778 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.698 176.771 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 158.56 28.88 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 172.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.554 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 42.7 m-70 -59.8 -33.64 72.0 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.09 -33.91 65.88 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.144 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 63.1 mmtt -62.72 -41.44 99.16 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.73 178.101 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.6 -42.38 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 87.4 mt -64.2 -48.41 76.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.041 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.63 -41.44 88.32 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.52 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 76.0 t80 -62.16 -50.67 70.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -57.52 -43.25 84.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.354 0.409 . . . . 0.0 111.968 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.575 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 14.0 ptm180 -79.53 -19.82 48.64 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.412 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.47 -35.0 23.29 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.533 179.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 6.9 tt -72.38 -32.94 66.85 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.045 -0.979 . . . . 0.0 108.566 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.17 -44.5 95.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.96 177.191 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.3 mttp -53.46 -47.3 69.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.319 177.152 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -59.63 -48.72 80.55 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.152 -175.643 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.1 mt -61.07 -56.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.216 -179.194 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -52.93 -40.45 63.63 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 123.74 0.65 . . . . 0.0 110.755 -179.115 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -56.68 -49.55 74.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.453 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -79.86 -20.67 45.39 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -178.079 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 80.5 mtp . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.68 -47.62 80.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 4.0 mmmt -63.2 -36.78 84.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.45 177.391 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.965 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -68.71 -34.97 76.54 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 175.289 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.95 -47.19 94.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 176.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 27.5 mm-40 -55.47 -47.71 75.67 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.639 0.587 . . . . 0.0 110.211 175.52 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.01 -46.44 89.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.576 -179.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -69.27 -38.5 78.43 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.89 0.376 . . . . 0.0 110.615 -176.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -54.46 -52.44 61.84 Favored 'General case' 0 C--O 1.216 -0.691 0 C-N-CA 124.967 1.307 . . . . 0.0 108.532 174.148 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 18' ' ' ILE . 27.5 mtpp -62.87 -39.45 94.47 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.319 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 8.1 mm-40 -55.22 -47.89 74.69 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 174.671 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.34 -43.76 85.17 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.581 179.291 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 80.3 mt -55.57 -38.58 50.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.401 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 44.4 mt-30 -58.88 -42.65 90.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.309 176.079 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' B' ' 10' ' ' ILE . 2.6 mm? -67.22 -45.6 76.34 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.024 178.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.7 t -64.05 -39.3 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.087 177.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -46.68 81.79 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 122.814 0.446 . . . . 0.0 111.953 -178.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 14.9 ptm180 -65.85 -18.43 65.33 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.687 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.7 t-80 -57.7 -35.03 70.07 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 174.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.56 6.5 0.61 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.485 -1.34 . . . . 0.0 114.768 178.235 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -57.17 149.77 19.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 178.015 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.9 m-20 -73.78 174.06 8.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.203 176.015 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -65.37 -42.27 92.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -69.48 -32.77 71.88 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.423 -178.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 43.4 mmtm -62.88 -43.3 99.16 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.9 t -63.67 -37.69 80.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.76 -50.14 63.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.487 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.7 -45.43 92.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.06 -51.13 69.22 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.885 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -62.05 -40.68 96.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 13.9 ptm180 -74.19 -32.61 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.173 -178.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.82 -44.48 61.42 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 42' ' ' ILE . 22.1 tp -56.63 -45.51 81.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.97 177.111 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -60.48 -41.47 94.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.887 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 67.4 mttm -66.94 -42.73 84.79 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.444 178.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.19 -44.12 87.89 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.7 ' O ' ' HG3' ' A' ' 46' ' ' MET . 61.4 mt -62.77 -56.81 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.479 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -52.86 -33.73 51.12 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 122.887 0.475 . . . . 0.0 112.258 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -59.4 -49.95 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.506 0.722 . . . . 0.0 110.33 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' B' ' 26' ' ' LEU . 33.6 m-85 -78.72 -30.02 45.67 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.496 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.7 mtp . . . . . 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.211 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -60.84 -39.69 90.02 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.258 175.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.32 -41.23 84.1 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 123.566 0.542 . . . . 0.0 110.664 178.123 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -69.3 -39.14 78.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.518 178.467 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 20' ' ' LEU . 61.3 mt -59.78 -51.29 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -58.0 -52.54 65.08 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.396 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -56.09 -49.99 72.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.12 0.968 . . . . 0.0 112.518 -178.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 1.4 tppp? -69.48 -39.8 77.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.551 -176.424 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.406 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.0 ttpt -57.57 -50.04 74.41 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 123.825 0.85 . . . . 0.0 108.863 173.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -58.45 -39.52 80.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.688 0.795 . . . . 0.0 112.227 179.024 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -64.22 -39.83 94.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.679 0.276 . . . . 0.0 111.425 175.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -66.05 -44.78 83.58 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 176.702 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' SER . 85.3 mt -57.97 -42.15 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.624 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.97 -24.91 67.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.711 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.5 -51.26 8.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.945 178.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' B' ' 34' ' ' PHE . 11.9 m -62.82 -28.97 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.304 176.018 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.08 -42.28 94.27 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.556 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -79.25 -7.19 58.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -67.48 -29.55 69.02 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.52 -11.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.762 -1.208 . . . . 0.0 113.207 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.66 140.16 36.41 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.523 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 13.2 m-20 -79.19 165.53 23.18 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 113.567 -1.651 . . . . 0.0 106.651 175.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.469 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.3 t-80 -54.37 -43.88 71.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.125 0.488 . . . . 0.0 110.643 178.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.64 -41.03 98.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 32.9 mmtm -56.87 -46.06 82.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.958 176.783 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 54.7 t -60.59 -44.14 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.128 -178.1 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.2 mt -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' B' ' 21' ' ' VAL . 86.2 t80 -58.7 -52.14 66.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.463 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.3 p -59.32 -41.2 88.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.032 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 12.0 ptm180 -76.77 -33.83 58.04 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.74 -178.218 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.07 -39.93 75.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.253 1.025 . . . . 0.0 108.594 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.66 -36.48 83.79 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.717 176.748 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.55 -47.68 82.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.8 mtpt -54.95 -42.83 72.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.277 177.517 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.99 -42.42 99.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.623 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.3 mt -66.11 -50.0 72.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.02 -33.31 56.89 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.342 1.057 . . . . 0.0 111.767 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.28 -51.81 67.35 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -77.04 -26.2 53.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.623 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.9 mtp . . . . . 0 C--O 1.219 -0.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 175.508 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 120.451 0.167 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.65 -47.21 84.71 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.733 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.96 -40.14 94.55 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.161 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -60.37 -40.48 90.94 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.182 0.593 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.98 -39.54 83.29 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.663 176.594 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.658 HG12 ' HB3' ' B' ' 20' ' ' LEU . 82.7 mt -56.65 -45.33 82.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 172.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 8.0 mm-40 -57.44 -52.35 65.75 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 123.721 0.638 . . . . 0.0 109.676 176.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.11 -45.72 86.77 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.174 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 14.8 tppt? -67.88 -43.36 79.55 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.655 0.782 . . . . 0.0 110.961 -176.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 18' ' ' ILE . 35.1 ttpt -55.1 -49.96 70.38 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.102 1.361 . . . . 0.0 108.811 175.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -64.47 -40.17 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 20' ' ' LEU . 47.3 mt-10 -55.64 -44.91 77.58 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 109.577 175.112 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.77 -42.88 81.03 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.867 -178.143 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 14' ' ' LYS . 68.6 mt -57.84 -39.33 70.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.137 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 88.7 mt-30 -62.09 -41.29 98.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.079 177.177 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.2 mm? -62.64 -49.95 73.13 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.725 176.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.565 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.7 m -66.72 -32.15 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 118.943 -1.103 . . . . 0.0 111.808 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.93 82.84 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.082 -0.386 . . . . 0.0 111.82 -178.088 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -75.79 -18.74 59.4 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.264 178.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 39.9 t-80 -56.73 -46.7 81.17 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.02 0.438 . . . . 0.0 110.2 176.255 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 6.56 0.08 OUTLIER Glycine 0 N--CA 1.434 -1.484 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.512 -178.075 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.58 0.705 . . . . 0.0 112.453 173.744 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.7 m-20 -73.68 171.14 13.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.713 178.432 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -60.14 -47.06 87.5 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.337 0.589 . . . . 0.0 110.194 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 6.6 p-10 -64.2 -34.44 78.09 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.1 -44.05 93.49 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.506 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.6 t -61.16 -40.38 85.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.64 -54.36 28.74 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.298 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.5 mt -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.172 -177.253 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.86 -50.42 70.98 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 123.572 0.545 . . . . 0.0 110.495 178.398 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -59.66 -37.24 78.2 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.685 0.279 . . . . 0.0 111.517 -178.714 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -66.99 -50.35 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.288 0.635 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.06 -41.84 77.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.968 -176.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.45 -48.77 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.8 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.52 -43.43 98.88 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.077 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.99 -39.98 96.38 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 124.252 1.021 . . . . 0.0 110.964 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.81 -40.67 95.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.6 mt -65.58 -54.0 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.721 179.162 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -55.05 -34.9 63.94 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.43 -49.73 76.66 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.381 0.61 . . . . 0.0 109.908 177.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.65 -33.21 53.53 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.45 -178.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 27.3 mtp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.282 0.563 . . . . 0.0 110.007 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.461 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 2.9 mmmt -64.19 -34.21 77.55 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.044 176.318 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -66.03 -32.31 73.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.066 0.46 . . . . 0.0 109.904 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.79 -42.55 73.62 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.263 173.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' A' ' 20' ' ' LEU . 77.9 mt -59.81 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.409 177.214 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 22.6 mm-40 -56.81 -46.07 81.83 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.825 176.784 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.01 -45.04 94.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.8 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -67.54 -42.9 81.96 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 123.236 0.335 . . . . 0.0 110.491 -177.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.525 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -54.43 -51.12 65.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.639 1.176 . . . . 0.0 108.611 175.155 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.38 -36.63 82.9 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.5 -43.91 97.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.235 0.541 . . . . 0.0 109.838 175.571 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -67.06 -44.39 80.24 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.942 -178.837 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 65.4 mt -58.07 -40.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.526 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.46 -37.41 85.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.209 177.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.3 mp -65.7 -54.4 27.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 177.336 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 10.1 m -61.66 -28.95 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.612 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.77 70.92 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -73.1 -8.99 58.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.563 -178.334 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.7 t-80 -61.06 -38.7 87.12 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 37.71 0.1 OUTLIER Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.863 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.1 mt -84.67 147.84 26.72 Favored 'General case' 0 CA--C 1.478 -1.799 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.901 177.328 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.0 m-20 -74.93 160.5 30.52 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 173.102 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.7 t-80 -51.72 -42.93 62.63 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.583 0.552 . . . . 0.0 110.58 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.8 m-20 -65.57 -38.32 89.2 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.545 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.5 mmtt -62.11 -45.48 93.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.236 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.4 t -60.26 -41.43 86.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.637 178.903 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.9 mt -64.92 -55.69 17.78 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.03 179.458 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.6 mt -60.71 -36.5 78.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.478 -177.277 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.16 -51.7 50.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 177.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.403 ' HB3' HD13 ' B' ' 18' ' ' ILE . 21.6 p -62.3 -35.79 80.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.416 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.4 mtt180 -64.96 -52.85 54.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.22 177.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.57 -44.68 96.59 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.094 -177.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.4 -45.31 91.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.246 178.005 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.38 -45.37 93.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.187 0.518 . . . . 0.0 109.855 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.0 mtpp -63.19 -48.85 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.641 178.562 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.46 -44.9 85.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.665 0.786 . . . . 0.0 110.974 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.728 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.7 mt -62.49 -59.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.593 179.383 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.39 -34.32 66.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.509 0.506 . . . . 0.0 111.901 -177.635 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.15 -51.87 67.58 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.444 0.698 . . . . 0.0 110.157 177.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 25.1 m-85 -70.98 -33.36 70.35 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.688 -179.266 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.728 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 58.6 mtp . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 19.4 mm-40 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.616 0.246 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.72 -49.84 69.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.711 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.62 -34.47 77.1 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.853 0.358 . . . . 0.0 110.597 177.448 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -66.15 -41.22 90.68 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 123.454 0.702 . . . . 0.0 109.343 179.576 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.9 mmtm -65.97 -34.76 78.84 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 175.872 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.99 -46.84 92.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.873 175.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 38.7 mm-40 -57.66 -47.27 82.75 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.475 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.72 -53.49 51.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 124.787 1.235 . . . . 0.0 111.497 179.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -68.77 -40.02 79.93 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 -175.134 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.1 ttpt -57.81 -49.8 75.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.175 0.99 . . . . 0.0 109.192 175.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -65.57 -36.07 82.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.577 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.1 mt-10 -59.29 -44.21 92.5 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 174.054 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.77 -42.45 77.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.714 -178.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -58.57 -43.45 87.21 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.016 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.54 -32.68 73.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.908 177.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.0 mt -69.44 -52.02 30.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.281 177.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 26' ' ' LEU . 12.1 m -62.99 -32.38 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.492 175.62 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.95 -46.16 89.04 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 123.062 0.545 . . . . 0.0 111.72 -179.293 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.1 ptp180 -68.92 -18.3 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.868 -179.305 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.5 t-80 -59.28 -32.94 70.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.007 0.523 . . . . 0.0 110.807 175.512 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.69 -13.98 0.51 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.504 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -52.72 141.01 22.12 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 m-20 -80.39 171.04 15.57 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 177.146 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 23.4 t-80 -64.98 -36.08 83.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.156 0.434 . . . . 0.0 110.542 -178.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.9 p-10 -62.61 -37.63 87.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 178.711 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -65.38 -41.03 94.17 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.938 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 27' ' ' ASP . 62.1 t -65.2 -39.55 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.691 -179.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 mt -62.95 -47.62 82.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 176.462 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 72.8 mt -64.35 -43.7 93.75 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 123.483 0.489 . . . . 0.0 111.265 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.86 -49.16 69.14 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.139 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -60.29 -41.13 92.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.401 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -70.13 -40.64 74.71 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.752 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -74.35 -38.23 63.28 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.125 -179.019 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.05 -45.82 93.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.792 176.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.5 -49.27 76.85 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.593 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.6 -33.4 75.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.814 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.39 -40.59 93.66 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.3 mt -66.48 -53.13 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.853 177.788 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.57 -38.66 60.4 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.367 0.667 . . . . 0.0 110.634 178.123 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -58.03 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.818 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -85.18 -35.63 21.55 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 54.5 mtp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 6.5 mmmt -61.46 -35.49 77.77 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.806 174.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -55.04 -50.18 69.73 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.01 176.415 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.93 -35.5 76.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.424 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.36 -51.46 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 123.558 0.536 . . . . 0.0 110.723 176.496 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.1 mm-40 -57.88 -47.84 81.6 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 123.653 0.595 . . . . 0.0 110.905 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.37 -43.46 90.71 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -64.45 -43.44 94.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.259 0.552 . . . . 0.0 109.763 -178.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.1 ttpt -54.12 -52.01 62.4 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.119 1.368 . . . . 0.0 108.906 174.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.6 mtpm? -60.76 -44.5 96.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.562 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -56.19 -40.03 73.33 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.922 0.392 . . . . 0.0 110.463 176.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.412 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -69.36 -44.11 72.25 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.421 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 14' ' ' LYS . 74.6 mt -58.24 -41.73 81.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.743 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 23.9 mt-30 -60.33 -37.48 80.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.17 177.468 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 91.0 mt -68.13 -51.52 45.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.548 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.3 m -63.53 -28.89 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.994 176.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.17 -38.05 72.17 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -81.32 0.25 37.92 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.731 178.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.0 t-80 -69.27 -34.0 74.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 167.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.59 46.59 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.602 177.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.609 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.9 mt -89.63 144.51 25.94 Favored 'General case' 0 CA--C 1.473 -2.006 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.057 178.093 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.428 ' O ' HG23 ' B' ' 31' ' ' VAL . 30.1 m-20 -77.58 164.11 25.65 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.562 173.277 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.593 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 40.6 p-80 -50.65 -44.38 57.46 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 123.772 0.67 . . . . 0.0 112.127 -177.239 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.36 -47.08 79.62 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.741 178.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 34.2 mmtp -62.32 -42.71 99.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.436 -176.636 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 27' ' ' ASP . 12.1 t -64.42 -43.99 97.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.662 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.753 ' O ' ' HG2' ' B' ' 36' ' ' ARG . 88.7 mt -60.12 -58.29 9.18 Favored 'General case' 0 CA--C 1.492 -1.256 0 C-N-CA 123.581 0.752 . . . . 0.0 111.313 178.217 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.0 -34.19 75.73 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 123.605 0.566 . . . . 0.0 112.029 -176.512 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 89.1 t80 -72.69 -49.66 29.95 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.806 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.9 p -58.79 -40.54 84.35 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -176.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.753 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 9.6 ptm180 -68.41 -48.44 64.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 177.148 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.84 -28.13 58.13 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.131 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.4 ' O ' HG13 ' B' ' 42' ' ' ILE . 20.9 tp -64.12 -43.86 93.99 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 172.562 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.8 -43.81 97.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.616 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 66.8 mttm -63.39 -43.14 98.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.352 178.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -40.16 96.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.706 179.006 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' B' ' 46' ' ' MET . 59.1 mt -64.02 -54.53 30.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.954 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -57.42 -34.29 68.77 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -54.19 -45.86 72.27 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.745 0.818 . . . . 0.0 110.095 176.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.493 ' HB3' HD21 ' A' ' 26' ' ' LEU . 33.5 m-85 -84.5 -23.11 29.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.809 -178.552 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 34.4 mtp . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.177 0.513 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 120.252 0.072 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.88 120.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.57 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 169.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.84 -22.64 63.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.159 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.63 92.86 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -72.46 -39.49 67.73 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -59.39 -48.32 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.926 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.7 mmmt -60.5 -35.53 76.18 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.231 177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.61 -41.58 96.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.131 0.491 . . . . 0.0 109.732 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.51 -37.69 83.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.237 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.77 -49.11 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.821 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 31.3 mm-40 -54.16 -52.12 62.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 123.684 0.615 . . . . 0.0 110.698 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -56.98 -48.56 78.12 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.728 0.811 . . . . 0.0 112.41 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.99 -41.52 77.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -58.66 -46.23 87.63 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.332 1.053 . . . . 0.0 109.38 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 47.8 mttm -63.94 -41.37 97.63 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 122.818 0.447 . . . . 0.0 111.77 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.38 -37.37 72.56 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 121.307 0.575 . . . . 0.0 110.138 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -72.05 -44.76 62.83 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.5 mt -55.97 -40.54 63.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.2 mt-30 -58.79 -40.13 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.7 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.96 -48.79 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 17.6 t -62.46 -35.3 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-O 121.327 0.584 . . . . 0.0 110.309 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.93 56.27 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.471 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.89 -18.86 65.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 43.4 t-80 -55.63 -45.8 77.5 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.62 30.93 0.02 OUTLIER Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.358 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 57.3 mt -94.77 144.77 25.37 Favored 'General case' 0 CA--C 1.47 -2.127 0 C-N-CA 119.526 -0.87 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -86.14 170.74 11.91 Favored 'General case' 0 C--N 1.273 -2.741 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 173.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.684 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.4 m80 -60.49 -36.08 77.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -174.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.3 p-10 -64.65 -37.54 87.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 45.5 mmtm -67.84 -44.49 77.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.253 178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.8 t -60.14 -43.95 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.31 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 67.1 mt -62.52 -45.75 91.57 Favored 'General case' 0 CA--C 1.508 -0.652 0 C-N-CA 122.5 0.32 . . . . 0.0 111.016 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 92.1 mt -64.88 -46.23 82.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.31 -52.5 64.42 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.2 p -60.17 -39.38 86.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -74.76 -34.46 62.49 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 8.7 t70 -72.39 -44.14 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.05 -44.54 78.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.505 175.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.58 -37.59 86.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.069 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -71.46 -35.54 70.89 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.102 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.2 -36.86 85.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 121.578 0.704 . . . . 0.0 109.327 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.432 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.6 mt -70.9 -46.98 65.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.573 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.34 -33.9 73.08 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.466 0.307 . . . . 0.0 111.457 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 48' ' ' VAL . 39.8 ttmt -59.27 -44.61 92.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.689 0.757 . . . . 0.0 110.846 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.66 -27.61 25.26 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.575 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mmm -83.94 -29.23 27.25 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.691 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -157.73 -74.35 0.09 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 118.916 -1.114 . . . . 0.0 113.013 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 21.7 m -85.84 111.18 20.68 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.376 0 CA-C-N 113.309 -1.769 . . . . 0.0 112.918 -171.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -94.44 65.84 3.27 Favored 'General case' 0 C--N 1.27 -2.88 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.39 97.3 0.96 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.277 -1.328 . . . . 0.0 110.443 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -106.91 2.57 25.41 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.323 -176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 m -81.12 67.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.983 0 CA-C-O 122.455 1.121 . . . . 0.0 111.409 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -85.6 122.79 30.21 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.309 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -74.78 118.3 17.59 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.942 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -102.69 112.16 24.8 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -75.71 -54.08 7.52 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -89.05 129.55 35.66 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -124.3 115.73 21.5 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 75.39 -66.76 0.27 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.69 1.596 . . . . 0.0 110.484 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -96.5 135.7 38.03 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -78.47 -19.07 53.88 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.432 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 . . . . . 0 C--N 1.3 -1.573 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -176.786 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.059 0.456 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -54.45 113.9 1.46 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.973 1.309 . . . . 0.0 111.159 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.1 mtt -90.0 -10.13 46.09 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.069 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.86 -42.41 97.0 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -72.82 -31.04 64.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.065 0.459 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.25 -44.81 74.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -63.82 -36.13 82.9 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.951 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.46 -36.31 75.73 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.009 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.77 -43.97 57.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.521 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.38 -49.47 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.66 0.6 . . . . 0.0 110.268 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -57.68 -51.62 68.79 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.722 0.638 . . . . 0.0 111.361 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 43.3 t-20 -59.88 -47.98 83.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.206 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.78 -42.48 95.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.678 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.4 ttpt -55.51 -48.43 74.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.203 1.001 . . . . 0.0 109.001 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.28 -33.1 71.17 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.464 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 45.9 mt-10 -59.58 -42.55 92.78 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 21' ' ' VAL . 12.7 tp -66.92 -49.41 65.64 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.388 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.1 mt -53.71 -45.56 61.08 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 O-C-N 123.685 0.616 . . . . 0.0 110.615 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.93 -28.69 69.12 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 123.409 0.443 . . . . 0.0 111.794 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 97.9 mt -78.55 -47.92 16.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.376 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.5 t -61.04 -38.11 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 121.638 0.733 . . . . 0.0 109.808 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.615 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.104 0.962 . . . . 0.0 112.242 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -68.46 -14.4 62.97 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.862 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.5 t60 -67.77 -25.07 65.43 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.816 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.52 -14.51 0.45 Allowed Glycine 0 CA--C 1.494 -1.277 0 C-N-CA 118.923 -1.608 . . . . 0.0 113.022 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.41 135.53 54.06 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-O 121.845 0.831 . . . . 0.0 112.255 176.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.554 ' O ' HG23 ' B' ' 31' ' ' VAL . 37.9 m-20 -84.92 176.41 8.48 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.374 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.533 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 75.4 m80 -59.84 -41.13 90.73 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.37 -37.46 83.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.903 0.382 . . . . 0.0 110.07 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 62.6 mmtt -60.21 -44.52 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.556 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.0 t -63.7 -43.26 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.3 mt -61.09 -47.16 87.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.88 -51.01 68.63 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.29 -47.06 86.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.508 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.5 p -63.06 -44.14 96.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -72.25 -36.42 69.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 111.566 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.5 -30.27 47.09 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.389 0.614 . . . . 0.0 109.798 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.56 -46.16 73.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -53.93 -50.56 66.18 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.653 0.739 . . . . 0.0 109.737 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' B' ' 40' ' ' LYS . 37.2 ttmt -54.21 -44.99 72.11 Favored 'General case' 0 N--CA 1.425 -1.707 0 C-N-CA 126.517 1.927 . . . . 0.0 111.93 178.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.23 -39.47 92.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.655 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.7 mt -65.3 -54.86 23.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.711 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -49.6 -39.05 34.01 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.827 0.851 . . . . 0.0 111.331 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.22 -51.23 70.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.836 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.68 -31.02 52.25 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.655 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 78.0 mtp -66.61 -31.5 72.23 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 76.68 -1.79 2.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.718 2.007 . . . . 0.0 109.17 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.14 92.02 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.774 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.959 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -123.29 28.79 6.94 Favored 'General case' 0 C--N 1.251 -3.698 0 CA-C-N 113.13 -1.85 . . . . 0.0 106.246 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 t70 78.95 176.15 0.14 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 111.427 -2.624 . . . . 0.0 109.588 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.49 14.98 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.726 0.774 . . . . 0.0 111.439 -172.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.82 169.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.414 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -127.52 82.36 2.08 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -69.09 124.33 23.49 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.57 -1.195 . . . . 0.0 112.193 -173.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.482 ' H ' HD23 ' B' ' 55' ' ' LEU . 2.2 pt? -70.38 129.24 38.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 171.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -129.3 -46.32 1.21 Allowed 'General case' 0 C--N 1.285 -2.217 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -143.11 -86.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.7 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -85.14 -43.88 13.47 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -140.31 -79.98 0.28 Allowed 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -113.14 177.94 4.45 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -172.22 139.34 1.05 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 71.5 t60 . . . . . 0 C--N 1.289 -2.061 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 176.557 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 CA--C 1.495 -1.164 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -95.14 159.54 14.97 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.076 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtm -59.44 -23.32 62.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.4 -47.15 64.76 Favored Glycine 0 N--CA 1.459 0.191 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.008 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -67.75 -37.37 82.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.822 0.82 . . . . 0.0 109.202 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.6 -45.66 86.01 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.684 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -61.93 -36.36 81.16 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 122.859 0.464 . . . . 0.0 111.274 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -59.33 -44.15 92.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.93 -41.21 87.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.877 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.8 mt -57.14 -50.45 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.338 0 O-C-N 123.485 0.491 . . . . 0.0 110.425 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.42 -52.4 64.79 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 123.694 0.621 . . . . 0.0 111.508 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 20.1 m-80 -59.1 -45.19 91.51 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -70.82 -38.48 73.28 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.065 0.46 . . . . 0.0 110.148 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.2 ttpt -61.74 -47.01 87.17 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 109.662 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 61.2 mtpt -62.43 -40.43 96.55 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.767 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 56.5 mt-10 -58.96 -37.45 76.79 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 123.585 0.553 . . . . 0.0 109.593 175.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.6 tp -69.76 -48.14 60.39 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.842 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.5 mt -54.37 -41.1 51.43 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 O-C-N 123.508 0.505 . . . . 0.0 110.019 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 52.1 mt-30 -58.23 -43.09 87.59 Favored 'General case' 0 C--O 1.224 -0.245 0 O-C-N 123.589 0.556 . . . . 0.0 110.578 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' B' ' 10' ' ' ILE . 95.3 mt -66.27 -48.95 68.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' LEU . 16.5 t -64.61 -35.26 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 121.402 0.62 . . . . 0.0 110.571 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.3 -50.38 60.45 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.261 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.56 -18.58 65.43 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 123.706 0.629 . . . . 0.0 111.685 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -57.47 -53.87 53.2 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.0 42.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.689 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.537 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.665 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 55.6 mt -102.18 143.97 31.31 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.886 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.723 ' OD1' ' HG2' ' A' ' 30' ' ' LYS . 2.7 p-10 -85.77 177.62 7.6 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 176.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.671 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.5 t60 -58.37 -38.21 76.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 123.539 0.524 . . . . 0.0 110.418 -177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.6 t70 -67.43 -39.48 85.44 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.146 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.723 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 33.3 mmtm -67.9 -43.46 79.23 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.068 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.5 t -60.54 -39.13 80.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 74.5 mt -64.93 -53.77 41.26 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.454 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 85.9 mt -60.81 -41.89 96.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.722 0.296 . . . . 0.0 111.706 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.76 -47.55 80.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.876 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -66.5 -33.01 74.73 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.897 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 33' ' ' LEU . 97.0 mtt180 -63.91 -57.28 10.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 122.757 0.423 . . . . 0.0 110.868 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.527 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.7 t70 -72.96 -33.88 66.16 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.077 -171.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.96 -35.98 69.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.096 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.2 -41.02 90.76 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 45.6 mtpt -58.63 -43.92 89.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.232 174.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.22 -43.38 98.26 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.512 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.664 ' O ' ' HG3' ' A' ' 46' ' ' MET . 63.0 mt -60.51 -53.24 51.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.459 ' C ' HG22 ' A' ' 48' ' ' VAL . 37.9 m-80 -56.17 -36.79 68.72 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -56.5 -43.66 79.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.975 0.91 . . . . 0.0 108.691 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -85.83 -28.18 24.63 Favored 'General case' 0 N--CA 1.429 -1.507 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 91.4 mtp -59.91 -54.86 41.18 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 119.377 -0.344 . . . . 0.0 110.436 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 46' ' ' MET . 57.8 t30 168.69 16.19 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 O-C-N 124.57 1.169 . . . . 0.0 112.778 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG22 ' C ' ' A' ' 43' ' ' ASN . 7.5 m -94.37 120.27 43.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.721 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -113.61 90.11 3.26 Favored 'General case' 0 N--CA 1.413 -2.325 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -120.6 143.5 48.61 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-N 114.128 -1.396 . . . . 0.0 107.772 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -99.62 26.4 6.21 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 122.188 0.994 . . . . 0.0 110.003 179.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.4 m -76.06 -3.52 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.225 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.18 142.28 31.3 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -82.29 127.44 33.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.002 0.429 . . . . 0.0 111.676 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.79 157.37 18.64 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -84.75 160.77 20.22 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -68.8 -46.05 69.65 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 124.213 1.005 . . . . 0.0 109.693 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -141.57 -53.13 0.45 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.682 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 56' ' ' GLU . 62.2 t60 68.8 145.22 0.05 OUTLIER 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.17 1.388 . . . . 0.0 113.182 178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.98 112.65 12.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.1 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -88.5 136.72 32.85 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 C--N 1.294 -1.814 0 CA-C-O 118.392 -0.813 . . . . 0.0 108.939 -176.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 1.2 mp0 -59.14 121.13 10.55 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 124.423 1.089 . . . . 0.0 111.5 -176.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -76.58 -21.89 55.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.371 0.605 . . . . 0.0 109.535 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -38.15 94.49 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.841 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 15.9 mm100 -70.14 -35.78 74.31 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.51 -48.43 81.09 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 0.2 OUTLIER -64.03 -35.85 82.07 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.83 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.54 -39.6 91.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.989 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 99.1 mttt -66.88 -37.61 84.75 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.166 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 20' ' ' LEU . 65.1 mt -57.37 -49.41 80.2 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 7' ' ' LYS . 37.8 mt-10 -60.91 -43.81 98.04 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -55.8 -55.3 34.05 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.384 1.073 . . . . 0.0 111.253 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 16.1 tppt? -65.18 -44.91 86.94 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.369 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 25.5 ttpt -57.91 -43.82 86.42 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.679 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.4 mtpm? -63.11 -37.03 85.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 122.406 0.282 . . . . 0.0 111.447 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.47 -41.03 96.6 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.576 0.703 . . . . 0.0 109.879 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -66.76 -46.37 75.56 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.295 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 92.2 mt -54.31 -42.46 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 123.6 0.562 . . . . 0.0 110.111 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.6 mt-30 -63.57 -35.46 80.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.803 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.95 -49.64 35.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' B' ' 26' ' ' LEU . 23.2 t -58.65 -39.17 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -56.33 -55.77 29.27 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.322 0.649 . . . . 0.0 111.449 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -70.35 -4.33 21.71 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.437 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 30.0 t-80 -65.89 -36.85 84.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.67 6.71 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.607 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -64.12 150.71 45.03 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 176.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' B' ' 31' ' ' VAL . 11.2 m-20 -75.42 163.79 27.05 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 170.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.516 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.1 m-70 -67.68 -30.53 70.08 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.491 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 2.4 m-20 -68.87 -34.33 75.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.489 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 12.3 mmtp -62.74 -41.94 99.43 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 44.6 t -61.56 -42.69 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.258 0.551 . . . . 0.0 109.561 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 84.2 mt -65.73 -46.08 80.24 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 70.1 mt -70.45 -39.2 74.44 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.842 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -48.61 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.831 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 24.4 p -60.99 -36.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.437 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.48 -51.23 30.57 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.022 0.529 . . . . 0.0 111.34 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -64.77 -35.54 81.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.575 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tt -78.15 -31.12 49.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' B' ' 35' ' ' SER . 19.6 t70 -66.71 -41.14 88.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -61.78 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.983 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.62 -44.31 89.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.274 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.486 HD12 ' HD3' ' B' ' 14' ' ' LYS . 45.0 mt -67.01 -51.88 49.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -57.65 -30.62 65.54 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.43 -51.58 62.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.077 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -73.21 -32.07 64.56 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 92.4 mmm -67.32 -25.79 66.19 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 t30 57.55 67.59 0.95 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.521 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.32 136.3 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.037 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -104.89 97.69 7.53 Favored 'General case' 0 N--CA 1.396 -3.163 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.43 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.79 122.9 15.34 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.538 -1.665 . . . . 0.0 111.186 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -92.65 24.28 3.63 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.607 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.86 168.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -99.68 26.71 5.94 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 122.116 0.96 . . . . 0.0 110.436 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -130.59 90.76 2.97 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.63 155.64 19.5 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.746 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -81.89 -62.44 1.63 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 20.1 t60 58.94 -82.57 0.02 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.787 1.635 . . . . 0.0 109.738 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -128.95 85.01 2.28 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -108.1 70.68 0.77 Allowed 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -143.25 108.01 4.88 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -149.82 138.93 21.18 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.223 0.535 . . . . 0.0 112.028 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--N 1.305 -1.331 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 175.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 CA--C 1.5 -0.963 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 5' ' ' GLN . 12.5 tp10 -77.51 94.89 4.38 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.446 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 26.4 ptm -87.44 -14.87 39.32 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.015 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.16 -49.76 31.71 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 15.9 mm-40 -70.32 -30.22 67.14 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.715 -0.242 . . . . 0.0 110.724 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 2.7 tm? -61.71 -45.19 95.01 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.787 0.679 . . . . 0.0 109.289 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -40.42 93.85 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.624 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.15 -35.49 80.62 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.115 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.79 94.8 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.4 -49.97 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -53.85 -52.23 61.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 123.607 0.567 . . . . 0.0 110.622 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -60.71 -43.79 97.37 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.585 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -67.72 -40.66 84.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.205 0.526 . . . . 0.0 110.277 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -57.18 -48.68 78.15 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 124.544 1.138 . . . . 0.0 108.587 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -65.44 -35.61 81.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.277 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.27 -46.74 82.8 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 121.4 0.619 . . . . 0.0 109.528 170.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -45.9 80.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.68 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 14' ' ' LYS . 93.3 mt -55.03 -41.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 123.406 0.442 . . . . 0.0 110.299 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.48 -34.46 77.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.53 -47.86 37.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.639 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 18.1 t -61.83 -38.38 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.864 175.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.57 -52.4 65.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.001 0.52 . . . . 0.0 111.857 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -66.81 -17.93 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.34 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 46.6 t-80 -59.49 -32.59 70.41 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.54 -9.91 0.23 Allowed Glycine 0 CA--C 1.505 -0.573 0 C-N-CA 119.08 -1.534 . . . . 0.0 113.538 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.0 mp -63.29 147.33 51.37 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.65 0.738 . . . . 0.0 112.557 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.5 t70 -95.07 179.56 5.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 m80 -57.95 -40.5 80.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 124.656 1.182 . . . . 0.0 110.198 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.7 m-20 -74.89 -32.96 61.97 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.27 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.22 -38.97 92.08 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' ASP . 99.3 t -64.7 -43.54 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 79.4 mt -60.51 -53.57 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.726 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.9 mt -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.052 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.12 -52.69 64.25 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.96 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 p -61.14 -36.09 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.8 mtp180 -66.12 -51.66 55.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.439 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.72 -34.22 75.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 42' ' ' ILE . 27.7 tp -63.39 -49.63 73.07 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.853 0.861 . . . . 0.0 110.578 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.62 -41.25 98.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.499 0.666 . . . . 0.0 109.826 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -59.34 -38.7 81.04 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 125.333 1.453 . . . . 0.0 111.186 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -69.79 -38.72 76.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.338 0.59 . . . . 0.0 109.728 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.4 mt -68.38 -55.54 15.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.986 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -53.48 -35.11 60.22 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.72 0.408 . . . . 0.0 111.015 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -57.95 -48.17 80.73 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 123.87 0.731 . . . . 0.0 110.507 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.466 ' O ' HD21 ' B' ' 26' ' ' LEU . 45.1 m-85 -82.28 -30.79 30.4 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -177.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 50.7 mtp -69.5 -38.33 77.57 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.8 64.36 0.47 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 125.716 1.606 . . . . 0.0 108.447 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.81 146.72 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.899 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 10.8 mmpt? 66.38 14.48 9.72 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 125.279 1.612 . . . . 0.0 107.907 -169.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 t0 57.2 -173.89 0.08 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.699 2.4 . . . . 0.0 110.627 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -96.53 12.65 30.78 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.657 0.741 . . . . 0.0 109.53 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.62 158.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.807 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -96.9 92.89 6.33 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.839 0.828 . . . . 0.0 111.166 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -100.05 106.51 18.27 Favored 'General case' 0 N--CA 1.418 -2.028 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 137.43 53.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 174.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 4.2 tp10 -87.06 104.06 15.97 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.136 -175.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -66.85 -45.58 77.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -154.41 148.25 25.52 Favored 'General case' 0 N--CA 1.424 -1.761 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.449 ' HB3' ' HG2' ' A' ' 56' ' ' GLU . 7.2 p80 -127.65 173.77 9.63 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 62' ' ' HIS . 19.1 t-80 73.81 -50.48 0.69 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.173 1.789 . . . . 0.0 109.969 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 63.61 36.53 10.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.371 1.468 . . . . 0.0 109.366 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' HB3' ' ND1' ' A' ' 60' ' ' HIS . 24.6 t60 . . . . . 0 C--N 1.296 -1.731 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtm . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.9 103.09 3.61 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptm -141.51 -10.37 0.94 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 -41.32 94.92 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.56 -29.71 66.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.273 0.558 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -69.43 -47.75 63.09 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.257 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -32.01 71.48 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.28 -46.24 91.17 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -70.65 -31.87 68.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.0 -52.13 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 34.5 mm-40 -58.65 -48.26 81.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.462 177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -58.41 -47.73 82.98 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.869 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -67.6 -39.73 84.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 110.291 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.5 ttpt -55.11 -51.38 66.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.475 1.11 . . . . 0.0 108.346 174.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.7 mtpm? -65.12 -37.61 88.01 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.581 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.3 mt-10 -56.31 -45.19 80.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.302 0.573 . . . . 0.0 109.705 174.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.401 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.09 -44.04 73.31 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.335 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.1 mt -57.76 -43.11 83.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 O-C-N 123.244 0.34 . . . . 0.0 110.092 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.39 -31.72 72.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.763 0.316 . . . . 0.0 110.996 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 89.9 mt -71.28 -50.04 36.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.041 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.3 -27.29 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.173 176.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -47.0 65.72 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.93 -10.64 60.06 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.187 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.6 t-80 -62.85 -34.57 77.64 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.12 41.69 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.206 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 43.8 mt -95.56 148.76 22.17 Favored 'General case' 0 CA--C 1.488 -1.423 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.815 176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.498 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.4 t70 -74.46 159.92 31.64 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.649 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 m-70 -55.39 -35.68 65.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.882 0.31 . . . . 0.0 111.67 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.974 0.416 . . . . 0.0 110.206 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.534 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mmtt -65.69 -44.02 87.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.076 177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 27' ' ' ASP . 41.7 t -60.33 -42.67 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.748 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 78.7 mt -63.96 -47.61 79.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.19 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.65 -48.69 80.65 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -61.8 -51.53 67.88 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.113 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 p -58.92 -41.13 86.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 15.0 ptm180 -73.33 -41.1 63.89 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.608 -178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.84 -31.08 66.14 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.537 0.684 . . . . 0.0 110.045 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.64 -43.34 72.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.909 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.1 -46.91 82.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.22 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.3 mtpp -62.6 -42.44 99.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.529 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.87 -42.32 99.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 110.925 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' B' ' 46' ' ' MET . 57.7 mt -66.92 -54.65 22.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.155 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -57.23 -27.48 62.06 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.31 0.644 . . . . 0.0 112.134 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -63.53 -53.57 49.77 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD21 ' A' ' 26' ' ' LEU . 37.8 m-85 -74.9 -26.56 59.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 76.8 mtp -68.39 -21.42 64.7 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 173.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 58.89 72.63 0.52 Allowed 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.367 1.467 . . . . 0.0 109.574 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 21.0 m -76.5 114.32 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.312 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -104.83 69.83 0.89 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 107.595 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -125.72 -170.55 2.2 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.769 -1.559 . . . . 0.0 107.878 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -73.92 34.9 0.09 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.033 0.933 . . . . 0.0 112.944 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.63 176.3 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -76.78 129.25 36.02 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' B' ' 56' ' ' GLU . 56.2 mtpt -65.77 118.21 9.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.522 0.677 . . . . 0.0 112.444 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -84.3 33.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.428 1.108 . . . . 0.0 109.113 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' B' ' 54' ' ' LYS . 38.4 tt0 -55.11 -31.14 61.01 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 126.761 2.024 . . . . 0.0 111.148 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.94 -20.61 66.27 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.976 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.52 10.1 40.66 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.296 0.57 . . . . 0.0 110.188 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -125.0 173.86 8.39 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -70.95 106.58 3.7 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 123.802 0.689 . . . . 0.0 111.559 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -132.9 168.25 18.77 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.83 0.452 . . . . 0.0 111.296 179.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 CA--C 1.51 -0.585 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 4' ' ' GLY . 1.3 tm-20 75.19 136.52 0.06 Allowed 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.734 1.214 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 23.9 ptp -79.78 -26.42 40.63 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . -72.14 -43.46 47.79 Favored Glycine 0 C--N 1.309 -0.953 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.16 -23.18 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.933 -0.633 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 3' ' ' MET . 3.4 tm? -67.79 -47.29 69.55 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -65.05 -36.38 84.16 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.603 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -59.4 -45.82 90.44 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.54 -36.79 79.3 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.69 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.25 -49.08 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.74 -50.91 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.71 0.632 . . . . 0.0 110.77 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.2 -47.73 84.78 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 123.937 0.895 . . . . 0.0 113.384 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -67.59 -37.87 83.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.99 0.424 . . . . 0.0 110.275 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.4 ttpt -57.55 -51.58 68.88 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.465 1.106 . . . . 0.0 108.465 173.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 18' ' ' ILE . 43.3 mttm -60.64 -38.82 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.27 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 34.8 mm-40 -57.45 -41.61 80.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.288 0.367 . . . . 0.0 110.25 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.85 -45.79 73.6 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 177.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 14' ' ' LYS . 63.0 mt -57.25 -41.91 79.02 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 O-C-N 123.436 0.46 . . . . 0.0 110.09 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 16.4 mt-30 -59.06 -39.54 82.38 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.747 0.419 . . . . 0.0 110.634 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.8 mt -70.34 -47.95 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.614 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.1 p -67.93 -31.66 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 119.644 -0.823 . . . . 0.0 112.315 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.72 -51.93 66.35 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 122.186 -0.321 . . . . 0.0 111.478 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.18 -19.02 61.11 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.781 0.433 . . . . 0.0 111.813 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.6 t-80 -57.58 -32.85 67.56 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.906 175.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.05 -0.32 0.7 Allowed Glycine 0 N--CA 1.439 -1.1 0 C-N-CA 119.208 -1.473 . . . . 0.0 113.756 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -63.35 146.72 52.93 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 121.417 0.627 . . . . 0.0 112.599 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -85.64 175.78 8.56 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.9 m-70 -65.64 -38.39 89.22 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.302 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.632 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.5 p-10 -62.9 -39.24 93.92 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.53 -44.05 95.36 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.29 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 27' ' ' ASP . 91.7 t -63.89 -41.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.916 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 85.6 mt -61.73 -50.89 70.62 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.675 0.39 . . . . 0.0 110.975 177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 65.3 mt -63.38 -43.17 98.36 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.33 0.394 . . . . 0.0 111.142 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.26 -54.41 37.65 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.739 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 p -60.44 -41.39 93.94 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.3 ptm180 -69.42 -36.58 76.82 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.58 -38.31 59.22 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.883 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.85 -45.67 91.69 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.404 1.082 . . . . 0.0 110.389 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.3 -44.02 83.73 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.084 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -65.82 -42.43 90.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.052 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.48 -42.03 91.17 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 123.667 0.604 . . . . 0.0 111.106 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.67 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.8 mt -67.84 -57.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.03 -29.46 63.39 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.115 0.566 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.15 -50.15 69.33 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.08 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.75 -32.61 65.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 71.0 mtp -60.37 -32.79 71.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.05 65.5 0.79 Allowed 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.663 1.185 . . . . 0.0 109.602 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 46' ' ' MET . 17.0 m -144.95 168.68 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.105 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -113.32 23.01 13.67 Favored 'General case' 0 C--N 1.282 -2.344 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 67.62 125.16 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 127.506 2.322 . . . . 0.0 111.519 -175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -115.86 17.66 15.94 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.282 -174.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.42 -27.64 2.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -103.54 83.22 2.13 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 169.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -139.09 147.33 41.83 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -85.02 141.08 30.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.72 145.58 38.57 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -123.57 141.27 52.17 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.112 -176.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -94.7 -14.24 25.0 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -70.29 -5.79 30.36 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -135.01 144.85 47.56 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -89.7 -39.57 13.09 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 174.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 . . . . . 0 C--N 1.299 -1.628 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.737 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.89 143.0 36.32 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 25.6 ptm -108.49 -17.91 13.86 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -45.78 91.76 Favored Glycine 0 CA--C 1.502 -0.764 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 7.9 pt20 -58.79 -41.92 87.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.625 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? -68.64 -45.59 71.41 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.151 -178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' B' ' 3' ' ' MET . 0.0 OUTLIER -64.84 -33.99 77.32 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -64.47 -42.14 96.1 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.555 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 73.7 mmtt -64.36 -38.53 91.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.15 -46.74 95.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.428 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 82.3 mm-40 -58.64 -49.35 77.85 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' 9' ' ' LYS . 22.1 t-20 -51.29 -53.61 34.04 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 125.532 1.533 . . . . 0.0 112.118 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.97 -40.36 65.36 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.108 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 36.2 ttpt -57.84 -47.19 83.41 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.342 0.657 . . . . 0.0 109.607 174.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 37.7 mttp -62.4 -38.29 89.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.631 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.56 -39.12 86.84 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.477 0.656 . . . . 0.0 110.391 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.1 tm? -69.26 -45.48 69.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.673 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.2 mt -54.99 -42.4 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 98.2 mt-30 -58.34 -39.22 78.91 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.958 176.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.46 -49.66 52.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.489 ' O ' HD13 ' B' ' 26' ' ' LEU . 21.7 t -59.49 -39.82 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.305 0.574 . . . . 0.0 110.193 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.39 -46.75 88.84 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 123.072 0.549 . . . . 0.0 111.927 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.13 -5.36 41.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 111.542 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -72.1 -30.38 65.02 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.253 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.44 -7.75 0.53 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.201 -1.476 . . . . 0.0 114.142 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.1 mp -55.07 143.28 27.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' B' ' 31' ' ' VAL . 15.8 m-20 -73.81 172.12 12.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.996 -1.456 . . . . 0.0 108.31 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.14 -51.58 68.75 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 123.496 0.718 . . . . 0.0 109.543 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.95 -29.07 67.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.469 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 16.9 mmtp -61.46 -41.72 97.67 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.712 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 27' ' ' ASP . 53.2 t -63.85 -38.35 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.56 -53.45 41.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.361 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.02 -44.15 97.84 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 80.0 t80 -59.82 -52.44 65.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.601 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.3 p -60.6 -46.4 90.41 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.91 -26.68 60.65 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.504 ' HA ' ' NZ ' ' B' ' 40' ' ' LYS . 18.5 t70 -78.22 -39.9 39.02 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.092 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 7.0 tt -67.31 -34.85 78.24 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.639 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -56.28 -46.89 79.54 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.158 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.504 ' NZ ' ' HA ' ' B' ' 37' ' ' ASP . 35.7 mtmm -61.97 -37.49 84.99 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.604 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -66.27 -40.5 90.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 46' ' ' MET . 39.9 mt -67.22 -56.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.609 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -52.86 -33.94 52.15 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.427 0.691 . . . . 0.0 111.569 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -58.59 -48.2 81.72 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 123.537 0.735 . . . . 0.0 110.356 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.526 ' HB3' HD21 ' A' ' 26' ' ' LEU . 34.9 m-85 -80.4 -27.48 38.11 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.662 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.8 mtp -74.36 -21.29 59.74 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 15.1 m120 65.6 17.73 11.0 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.154 0.981 . . . . 0.0 109.629 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.16 107.29 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.658 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -107.6 40.91 1.61 Allowed 'General case' 0 C--N 1.265 -3.083 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.586 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.23 79.04 2.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.316 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -129.35 12.48 5.99 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.489 -1.687 . . . . 0.0 107.057 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.96 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.281 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -77.2 104.4 7.68 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.824 0.821 . . . . 0.0 109.942 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.9 130.19 34.62 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.459 ' H ' HD23 ' B' ' 55' ' ' LEU . 2.5 pt? -73.68 143.0 46.4 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.139 0.495 . . . . 0.0 111.297 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -115.39 144.02 44.42 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.54 54.23 2.57 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.298 0.571 . . . . 0.0 111.66 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -63.51 -12.24 30.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.926 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -67.21 -31.46 71.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -120.7 -29.54 4.67 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.301 0.572 . . . . 0.0 110.241 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -81.66 106.03 13.28 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.204 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--N 1.287 -2.133 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.001 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mmm . . . . . 0 CA--C 1.503 -0.827 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.68 122.78 23.75 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.496 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 26.6 ptt? -56.59 -29.94 62.64 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.84 -51.66 38.97 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 120.47 -0.871 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.2 mt-30 -63.67 -45.32 90.66 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.101 0.477 . . . . 0.0 109.716 176.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 3.1 tm? -57.29 -42.29 81.43 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.257 1.023 . . . . 0.0 110.737 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -66.13 -34.55 78.32 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.096 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 74.0 mmtt -67.83 -38.54 83.35 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.48 -48.09 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.575 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 76.7 mm-40 -56.49 -50.43 71.79 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.806 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.49 -44.46 95.94 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.335 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -66.05 -43.36 87.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.06 0.457 . . . . 0.0 110.268 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HD3' HD12 ' A' ' 42' ' ' ILE . 37.6 ttpt -56.48 -49.08 75.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -63.99 -38.07 89.75 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.589 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.79 -46.35 84.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.437 0.637 . . . . 0.0 109.509 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.1 tm? -66.31 -44.91 82.08 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.258 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.7 mt -58.02 -41.02 79.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 O-C-N 123.335 0.397 . . . . 0.0 110.223 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.06 -39.73 93.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.846 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.83 -52.16 58.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.716 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.496 HG21 ' CE2' ' A' ' 34' ' ' PHE . 10.0 m -61.4 -34.66 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.567 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -63.52 -51.82 63.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.232 0.613 . . . . 0.0 111.253 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.41 -18.62 64.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.981 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.413 ' ND1' HD12 ' B' ' 6' ' ' LEU . 23.4 t60 -63.41 -39.06 93.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.552 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.44 -16.36 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 118.889 -1.624 . . . . 0.0 114.335 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.9 mp -55.21 144.45 24.43 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.8 m-20 -75.35 168.86 19.19 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.76 -1.564 . . . . 0.0 107.524 175.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 m80 -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.227 0.537 . . . . 0.0 109.729 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 m-20 -62.94 -34.71 78.05 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.62 -44.52 93.69 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.612 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.6 t -61.35 -43.57 96.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 O-C-N 123.715 0.635 . . . . 0.0 109.735 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 77.3 mt -61.7 -53.5 55.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.87 178.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.1 mt -62.95 -41.96 99.67 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.606 0.241 . . . . 0.0 111.066 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' VAL . 75.5 t80 -61.62 -51.25 69.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.261 0.624 . . . . 0.0 111.354 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.5 p -61.14 -35.07 76.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 123.335 0.397 . . . . 0.0 111.516 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 70.0 mtp180 -68.29 -51.91 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.389 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.03 -39.01 92.74 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.63 -176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.42 -43.49 85.53 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.288 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.71 -47.67 83.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 7.9 mptt -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.995 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 61.3 tp -62.62 -42.58 99.67 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 109.844 174.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.495 HD12 ' HD3' ' A' ' 14' ' ' LYS . 62.8 mt -65.37 -50.8 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.159 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.368 178.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -57.13 -32.33 66.25 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.5 ttmm -60.94 -50.13 74.64 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 123.971 0.908 . . . . 0.0 110.527 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.58 -32.54 41.99 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 121.116 0.484 . . . . 0.0 112.082 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.6 mmm -75.34 -8.13 55.83 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.807 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 61.54 30.57 18.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 124.56 1.144 . . . . 0.0 111.435 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.1 t -88.54 109.24 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.259 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -113.82 103.55 11.31 Favored 'General case' 0 C--N 1.262 -3.209 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -69.51 95.11 0.8 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.839 0.828 . . . . 0.0 111.629 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -104.29 -1.66 26.7 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.184 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -100.74 168.79 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.111 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -80.43 103.41 10.27 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -82.76 93.53 7.43 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.14 112.63 4.0 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 113.776 -1.557 . . . . 0.0 109.632 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -148.84 82.62 1.45 Allowed 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -88.72 -55.1 3.84 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -147.05 110.36 4.83 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.632 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -124.46 105.2 9.22 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -85.81 128.58 34.85 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -78.98 92.71 4.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 122.586 1.184 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 . . . . . 0 N--CA 1.424 -1.754 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.323 176.371 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.455 0.169 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.618 ' HG3' ' H ' ' B' ' 5' ' ' GLN . 10.0 tp10 -95.75 139.77 31.5 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-O 121.148 0.499 . . . . 0.0 111.304 -174.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ptp -104.87 -27.82 11.49 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.205 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 -52.03 33.5 Favored Glycine 0 C--N 1.337 0.594 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.618 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 57.2 mt-30 -64.63 -21.82 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.889 0.376 . . . . 0.0 110.965 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.413 HD12 ' ND1' ' A' ' 24' ' ' HIS . 3.4 tm? -72.95 -47.47 45.28 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.467 ' O ' ' HB ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -67.0 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.83 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -69.78 -31.86 70.02 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -70.48 -33.79 71.65 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.108 172.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 65.9 mt -58.7 -48.51 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -54.27 -52.78 60.32 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.881 0.738 . . . . 0.0 110.045 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.1 -41.98 93.72 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.396 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.72 -42.22 74.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.5 ttpt -53.96 -49.42 68.79 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.714 1.206 . . . . 0.0 108.715 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.97 -40.89 97.45 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.707 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.71 -41.53 73.94 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 121.398 0.618 . . . . 0.0 110.395 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.407 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -70.93 -42.07 70.33 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.433 -178.29 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.7 mt -58.5 -42.98 85.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.62 -24.52 67.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.05 -53.75 7.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.148 -0.345 . . . . 0.0 111.382 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.72 -34.26 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.439 0.638 . . . . 0.0 111.037 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.65 -43.97 87.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.417 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.31 -10.69 59.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.117 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.43 ' ND1' HD12 ' A' ' 6' ' ' LEU . 8.9 t60 -68.84 -48.38 63.62 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.77 34.08 0.02 OUTLIER Glycine 0 N--CA 1.434 -1.491 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.385 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 57.5 mt -90.64 144.41 25.77 Favored 'General case' 0 CA--C 1.474 -1.964 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.755 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.44 ' O ' HG23 ' B' ' 31' ' ' VAL . 3.0 m-20 -70.27 158.74 35.34 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.591 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 47.2 m80 -59.3 -35.63 74.13 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 118.357 0.526 . . . . 0.0 111.192 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.35 -34.42 77.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.451 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.684 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 31.6 mmtp -65.82 -46.6 78.02 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.898 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 27' ' ' ASP . 23.2 t -56.92 -43.39 80.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 123.827 0.704 . . . . 0.0 110.182 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 59.1 mt -64.81 -51.93 59.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -38.09 89.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.44 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.36 -51.98 38.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.229 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 45.4 p -57.78 -36.84 72.72 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 7.7 ptm180 -78.4 -35.78 46.65 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.856 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.51 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 t70 -78.53 -28.02 46.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.609 0.719 . . . . 0.0 109.525 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 tp -67.05 -43.31 83.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.85 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.13 -43.52 98.76 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 46.8 mtpt -55.76 -48.7 74.82 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.254 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.0 tt -62.21 -45.55 92.84 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.812 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.527 ' O ' ' HG2' ' B' ' 46' ' ' MET . 52.4 mt -65.88 -48.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.814 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -57.37 -34.4 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.406 0.146 . . . . 0.0 111.168 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 34.9 ttmt -55.28 -56.72 16.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.256 1.022 . . . . 0.0 110.475 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 26' ' ' LEU . 21.0 m-85 -77.51 -29.92 52.71 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.3 mmm -69.49 -29.58 67.25 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.22 4.52 4.9 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.616 1.566 . . . . 0.0 111.16 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.88 126.33 36.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.55 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -113.8 85.09 2.14 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.404 ' HB2' HG22 ' B' ' 52' ' ' VAL . 3.7 p30 -107.13 154.5 21.08 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.915 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -126.13 18.64 7.72 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' B' ' 50' ' ' ASP . 34.6 m -100.27 17.91 3.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.723 -175.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -85.15 161.89 19.46 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.025 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -110.65 131.06 55.37 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.873 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -111.16 135.94 50.95 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -160.7 167.01 27.79 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -81.43 147.75 29.61 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.004 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.2 t60 178.54 -48.78 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.583 -2.006 . . . . 0.0 105.583 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -90.47 121.66 32.62 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -82.85 131.33 35.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.101 0.477 . . . . 0.0 111.865 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -73.85 -49.98 22.52 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.489 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 m80 . . . . . 0 C--O 1.26 1.624 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.787 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 CA--C 1.51 -0.558 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 5' ' ' GLN . 12.0 tp10 70.2 112.55 0.05 Allowed 'General case' 0 C--O 1.248 0.988 0 C-N-CA 124.733 1.213 . . . . 0.0 111.431 -177.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -69.83 -27.15 64.62 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.855 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.19 -40.86 99.6 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 90.3 mt-30 -84.17 -15.56 46.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.116 0.484 . . . . 0.0 110.499 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.68 -45.84 56.82 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 173.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -29.04 68.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.639 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 25.9 t-20 -59.56 -48.54 81.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.722 174.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.64 -40.63 97.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.06 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.36 -50.15 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.085 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -58.05 -52.17 66.65 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.079 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -57.8 -45.46 86.04 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 124.079 0.862 . . . . 0.0 112.038 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -68.54 -46.27 69.96 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.987 0.423 . . . . 0.0 110.874 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.6 ttpt -58.66 -42.13 87.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.699 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -65.52 -39.97 92.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.651 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.48 -40.08 74.31 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.651 0.739 . . . . 0.0 109.172 173.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.77 -47.29 69.61 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.546 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.0 mt -56.92 -40.89 75.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.32 -39.0 91.61 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.687 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.39 -46.8 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.69 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' HD13 ' A' ' 26' ' ' LEU . 89.4 t -57.3 -43.18 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.891 0.377 . . . . 0.0 110.337 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.99 67.2 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.563 0.745 . . . . 0.0 112.014 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -66.59 -18.56 65.43 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -60.83 -31.55 70.97 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.544 0.212 . . . . 0.0 110.951 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.85 11.42 0.12 Allowed Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 119.356 -1.402 . . . . 0.0 113.745 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.3 mp -75.59 149.39 38.29 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.0 m-20 -87.05 171.04 11.02 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.535 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 p-80 -56.17 -48.78 75.66 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -63.34 -37.62 87.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.498 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -60.24 -46.04 91.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.531 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.7 t -61.77 -43.23 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.3 mt -63.0 -50.27 71.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.42 -42.42 98.72 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.99 -54.74 37.47 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 123.467 0.479 . . . . 0.0 110.83 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 p -58.97 -41.2 86.95 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -74.35 -35.07 63.57 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.106 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.03 -32.23 61.52 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.05 -46.53 80.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.214 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.54 -42.7 97.07 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -61.91 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.073 1.349 . . . . 0.0 112.111 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.6 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 5.1 tt -60.43 -40.38 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.546 HD12 ' HD3' ' A' ' 14' ' ' LYS . 87.0 mt -73.98 -43.57 52.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.44 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -57.72 -29.22 64.54 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.975 0.51 . . . . 0.0 110.617 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 35.6 ttmt -62.45 -49.2 76.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.193 0.997 . . . . 0.0 110.029 176.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' B' ' 26' ' ' LEU . 73.0 m-85 -83.32 -29.96 27.89 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.448 ' HB2' HG23 ' A' ' 48' ' ' VAL . 87.5 mmm -70.53 -24.15 62.76 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 68.49 66.3 0.32 Allowed 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 125.337 1.455 . . . . 0.0 108.016 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 46' ' ' MET . 58.5 t -109.46 110.34 31.74 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.353 0 CA-C-N 113.902 -1.499 . . . . 0.0 107.622 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -91.09 111.21 22.58 Favored 'General case' 0 C--N 1.266 -3.025 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 176.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.596 ' OD1' HG22 ' A' ' 52' ' ' VAL . 31.5 t70 -44.68 133.64 5.87 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -175.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -124.64 17.6 8.78 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.757 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.596 HG22 ' OD1' ' A' ' 50' ' ' ASP . 15.0 m -97.46 -33.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.327 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.6 7.82 4.51 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.61 0.719 . . . . 0.0 110.649 174.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp 61.46 33.48 18.58 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.458 172.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.34 125.75 49.15 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.538 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -74.38 -60.31 2.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.129 0.49 . . . . 0.0 109.749 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -109.56 146.9 33.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -107.0 109.77 21.75 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -75.34 122.99 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 62.23 -175.17 0.14 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.246 0.618 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -149.32 123.98 9.81 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 . . . . . 0 C--N 1.299 -1.598 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -174.778 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.85 -9.85 58.94 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 3.8 mpp? -65.99 -29.25 69.6 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.66 -36.45 48.37 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 14.9 mm-40 -69.1 -43.26 74.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.1 -43.82 91.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.275 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -67.08 -27.85 67.7 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.255 179.284 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -74.27 -34.11 63.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 30.5 mmmt -65.26 -38.56 90.68 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' B' ' 7' ' ' LYS . 56.5 mt -60.32 -49.84 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.781 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 17.0 mm-40 -52.1 -53.88 37.16 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 123.28 0.632 . . . . 0.0 109.989 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.69 -47.62 79.47 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.389 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.8 -39.01 84.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 110.12 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.453 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -57.36 -47.82 80.62 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.277 1.031 . . . . 0.0 108.372 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -65.86 -41.71 91.3 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.634 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -55.42 -42.73 74.56 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.301 0.572 . . . . 0.0 109.509 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 21' ' ' VAL . 19.7 tp -68.24 -46.28 70.95 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.748 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 14' ' ' LYS . 88.8 mt -53.89 -43.64 57.99 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 123.623 0.577 . . . . 0.0 110.288 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 24.0 mt-30 -56.45 -42.51 78.28 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.769 0.668 . . . . 0.0 110.764 176.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.16 -49.76 53.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.648 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 26' ' ' LEU . 20.5 t -62.41 -36.23 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-O 121.375 0.607 . . . . 0.0 110.296 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.88 -48.06 80.64 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.503 0.721 . . . . 0.0 111.763 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.31 -13.13 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 37.6 t-80 -60.28 -31.92 70.7 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.384 0.427 . . . . 0.0 110.312 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.58 -6.29 0.39 Allowed Glycine 0 CA--C 1.492 -1.403 0 C-N-CA 118.859 -1.639 . . . . 0.0 113.489 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -56.52 140.12 47.29 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 121.9 0.857 . . . . 0.0 112.917 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 31' ' ' VAL . 4.9 m-20 -72.33 167.13 21.09 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.005 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.426 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 44.7 m80 -62.94 -35.96 81.85 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 120.957 0.408 . . . . 0.0 109.948 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.62 -41.48 98.29 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.279 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -61.9 -38.33 87.96 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.17 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.1 t -64.71 -42.37 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 91.9 mt -60.27 -52.79 63.76 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.816 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.72 -44.93 86.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.884 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.61 -49.81 75.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.8 p -60.81 -38.88 86.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -76.35 -38.58 55.65 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.79 -43.62 88.21 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.08 -42.56 76.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.882 -1.508 . . . . 0.0 111.649 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.67 -42.39 96.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.611 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.39 -35.56 77.87 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.499 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.18 -40.4 97.4 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.203 0.525 . . . . 0.0 109.726 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' B' ' 46' ' ' MET . 60.4 mt -69.7 -45.74 76.78 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.243 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -56.71 -34.82 67.83 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.896 0.478 . . . . 0.0 111.011 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -60.04 -55.11 38.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.885 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 26' ' ' LEU . 62.6 m-85 -76.6 -24.78 53.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.53 ' HB2' HG23 ' B' ' 48' ' ' VAL . 13.4 mmt -71.93 -23.46 61.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 55.3 t30 67.6 64.8 0.4 Allowed 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 108.795 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' B' ' 46' ' ' MET . 61.2 t -113.16 113.17 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.074 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.255 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' B' ' 49' ' ' LYS . 47.9 mtpt -93.48 108.84 20.46 Favored 'General case' 0 N--CA 1.397 -3.089 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.35 103.3 0.18 Allowed 'General case' 0 C--N 1.31 -1.123 0 O-C-N 124.395 1.059 . . . . 0.0 108.805 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -94.77 17.37 13.7 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.921 0.867 . . . . 0.0 111.676 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 30.1 m -82.02 138.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 168.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.411 ' HB2' ' NE2' ' B' ' 57' ' ' HIS . 29.2 m170 -76.01 -27.81 57.53 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 119.481 -0.888 . . . . 0.0 111.902 -173.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 tttt 178.77 153.87 0.39 Allowed 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -94.25 145.79 24.47 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 171.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 68.21 44.83 1.33 Allowed 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 -167.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . 0.411 ' NE2' ' HB2' ' B' ' 53' ' ' HIS . 53.7 t-80 -74.17 122.86 23.44 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 112.596 -2.093 . . . . 0.0 112.298 -172.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -140.86 -62.37 0.48 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.7 m80 58.55 33.36 23.04 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.166 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -86.69 102.26 14.05 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.172 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.08 127.95 35.73 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.182 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -178.228 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.03 128.05 34.49 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-O 121.521 0.677 . . . . 0.0 111.776 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -21.65 66.63 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.359 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.38 -43.52 96.69 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 76.7 mt-30 -78.88 -21.66 47.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.043 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.3 tm? -64.57 -44.06 91.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 172.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 2.7 mmmt -58.97 -44.74 91.57 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.978 176.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.75 -34.78 76.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.894 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.3 mttm -66.66 -41.98 87.32 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.07 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.57 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 23.6 mm-40 -55.57 -52.39 63.91 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 123.836 0.71 . . . . 0.0 110.341 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.72 -49.19 73.71 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 123.777 0.673 . . . . 0.0 111.708 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -67.39 -42.15 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.283 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -55.62 -49.54 72.54 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.773 1.229 . . . . 0.0 108.839 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.3 mtpp -63.73 -40.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.833 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.3 mt-10 -55.19 -42.86 73.8 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.461 0.648 . . . . 0.0 109.73 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -70.8 -43.0 69.54 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.78 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.3 mt -58.64 -41.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.22 -33.21 74.13 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.472 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.8 mt -69.96 -52.22 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.319 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.8 m -62.22 -30.43 48.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.623 175.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -49.96 67.74 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.353 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -66.01 -18.33 65.27 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.063 0.458 . . . . 0.0 111.94 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.654 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -55.86 -38.99 70.85 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.137 171.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.98 35.69 0.17 Allowed Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 120.178 -1.011 . . . . 0.0 112.937 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 39.0 mt -89.95 151.71 21.57 Favored 'General case' 0 CA--C 1.484 -1.559 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.176 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.8 m-20 -76.75 167.22 22.22 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.656 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.518 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -59.61 -40.59 88.02 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.97 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 72.1 mmtt -62.55 -49.4 75.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 27' ' ' ASP . 70.5 t -58.76 -45.01 91.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 O-C-N 123.67 0.606 . . . . 0.0 110.071 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 80.0 mt -65.71 -52.84 48.09 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.66 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -40.74 91.43 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.427 -0.109 . . . . 0.0 111.054 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -61.92 -52.77 62.72 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 123.595 0.559 . . . . 0.0 111.005 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.0 p -61.68 -35.14 77.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.7 mtp180 -66.9 -46.74 73.97 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 123.32 0.387 . . . . 0.0 110.571 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.05 -31.6 62.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.113 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' ILE . 21.8 tp -63.62 -47.06 82.92 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.59 0.756 . . . . 0.0 110.122 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -55.4 -50.49 69.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.922 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -62.32 -39.28 92.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.211 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 40.8 tp -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.037 0.535 . . . . 0.0 111.53 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.646 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.7 mt -68.28 -51.67 45.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -54.3 -33.06 57.92 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.982 0.913 . . . . 0.0 111.144 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 40.3 ttmt -57.44 -47.24 82.31 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.171 0.988 . . . . 0.0 109.954 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -82.22 -33.63 29.24 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.165 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.7 mtp -68.54 -32.15 71.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.283 0.563 . . . . 0.0 109.753 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 82.17 -10.21 1.13 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.575 1.95 . . . . 0.0 111.165 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.66 128.31 39.32 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.263 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -123.22 32.28 5.72 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -58.48 112.5 1.61 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.073 -1.421 . . . . 0.0 112.54 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 8.12 43.45 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.412 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 m -94.73 76.03 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.26 1.029 . . . . 0.0 111.216 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -89.27 -37.46 14.93 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -118.46 111.05 18.16 Favored 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.702 -2.044 . . . . 0.0 107.916 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 138.79 31.24 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.91 -47.51 52.1 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 59' ' ' HIS . 52.9 m80 -151.77 168.61 24.53 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.683 -2.339 . . . . 0.0 104.683 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -79.37 -31.7 42.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 172.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 57' ' ' HIS . 66.9 m-70 65.52 -159.4 0.27 Allowed 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.236 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.407 ' H ' ' HB3' ' A' ' 59' ' ' HIS . 68.0 m80 81.53 -36.52 0.11 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.615 1.166 . . . . 0.0 111.009 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -67.06 -39.75 86.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 N--CA 1.434 -1.235 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 174.731 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 C--O 1.225 -0.218 0 N-CA-C 110.731 -0.1 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.497 ' HG3' ' H ' ' B' ' 5' ' ' GLN . 10.2 tp10 -107.95 112.11 24.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.119 0.485 . . . . 0.0 110.435 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 67.7 mtm -75.18 -20.9 59.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.1 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.63 -36.81 93.83 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 13.4 mm100 -81.55 -21.11 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 120.847 0.356 . . . . 0.0 110.627 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.18 -45.46 66.63 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.3 OUTLIER -63.96 -32.94 74.65 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.742 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 25.5 t-20 -59.29 -45.97 89.83 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 124.076 0.95 . . . . 0.0 109.638 175.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 74.7 mmtt -68.56 -34.16 75.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.407 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.94 -47.7 91.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 19.7 mm-40 -55.82 -49.26 73.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 175.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.83 -52.44 62.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.468 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -69.8 -40.57 75.88 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.463 -174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.571 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -54.26 -50.42 67.27 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 124.363 1.065 . . . . 0.0 108.365 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.9 mtpm? -64.12 -40.23 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.16 -41.48 79.29 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.408 0.623 . . . . 0.0 109.862 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -71.25 -43.6 66.93 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.459 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.7 mt -55.47 -42.83 69.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 96.4 mt-30 -62.59 -35.15 78.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.944 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 83.1 mt -72.34 -47.45 49.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.119 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 25.3 t -60.26 -37.38 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.325 0.583 . . . . 0.0 110.233 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.31 -48.89 77.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.403 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 14.5 ptm180 -73.38 -7.43 51.65 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.043 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 64.8 t60 -64.11 -40.49 96.32 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.21 0.03 OUTLIER Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.7 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.654 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 22.7 mt -95.99 143.77 26.87 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-O 121.239 0.542 . . . . 0.0 112.042 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.03 162.94 28.73 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 172.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 90.1 m-70 -60.06 -34.14 73.02 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.971 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.461 ' O ' HD13 ' B' ' 33' ' ' LEU . 4.7 p-10 -64.96 -38.03 89.61 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.9 mmtm -62.54 -45.19 94.1 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.39 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.5 -41.45 87.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 O-C-N 123.529 0.518 . . . . 0.0 110.09 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 73.0 mt -65.13 -49.53 69.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.199 0.523 . . . . 0.0 110.48 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.461 HD13 ' O ' ' B' ' 29' ' ' ASP . 9.0 mp -65.07 -37.43 87.5 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.51 -48.59 63.99 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -59.31 -42.68 91.96 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.52 -26.13 59.79 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 6.2 t70 -80.72 -40.66 24.9 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -62.1 -45.05 95.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.327 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.82 -41.38 86.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.2 0.524 . . . . 0.0 110.089 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 4.7 ttmp? -62.06 -46.43 89.16 Favored 'General case' 0 N--CA 1.407 -2.596 0 C-N-CA 124.624 1.169 . . . . 0.0 111.106 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.35 -38.32 90.61 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.157 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.568 ' O ' ' HG3' ' B' ' 46' ' ' MET . 63.6 mt -68.17 -54.8 19.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.44 -33.04 58.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.903 0.481 . . . . 0.0 111.614 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -59.13 -55.45 34.86 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 109.474 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.407 ' O ' HD21 ' A' ' 26' ' ' LEU . 41.0 m-85 -75.31 -27.88 59.47 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 27.4 mtp -72.94 -24.4 60.8 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.69 24.56 3.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.186 1.794 . . . . 0.0 109.062 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 t 57.51 103.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 C-N-CA 125.425 1.49 . . . . 0.0 111.421 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.629 ' HG3' ' NE2' ' A' ' 24' ' ' HIS . 13.0 mmmm -113.91 28.88 8.42 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.043 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -102.73 114.13 28.12 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -87.78 6.81 33.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.024 0.916 . . . . 0.0 111.679 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -84.2 123.16 38.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 114.671 -1.15 . . . . 0.0 107.936 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -93.3 34.85 1.11 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.809 0.338 . . . . 0.0 111.324 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 63.09 84.02 0.15 Allowed 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.921 1.288 . . . . 0.0 111.393 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.565 ' H ' HD23 ' B' ' 55' ' ' LEU . 1.9 pt? -72.27 108.39 5.39 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.796 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.12 91.84 7.77 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.112 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -144.29 -57.29 0.37 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 33.6 m80 67.19 174.76 0.26 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 114.272 -1.331 . . . . 0.0 112.755 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -129.2 -34.45 1.87 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 69.67 75.86 0.22 Allowed 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.115 -1.402 . . . . 0.0 109.826 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -74.97 129.46 37.68 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.857 -1.519 . . . . 0.0 109.065 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 34.1 m80 . . . . . 0 C--O 1.249 1.028 0 O-C-N 124.772 1.295 . . . . 0.0 110.609 -178.704 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 CA--C 1.507 -0.689 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 41.9 mt-10 -127.82 152.84 47.3 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt -84.56 -25.76 28.47 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.43 -35.28 91.48 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.323 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 18.1 pt20 -71.76 -31.99 67.21 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.465 HD12 ' HD1' ' B' ' 24' ' ' HIS . 3.1 tm? -72.32 -44.38 62.78 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -66.13 -31.18 71.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 178.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -66.15 -43.2 87.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -59.99 -43.22 95.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.977 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.8 mt -55.27 -46.9 78.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 O-C-N 123.749 0.655 . . . . 0.0 110.139 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 25.5 mm-40 -56.74 -53.34 58.89 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.241 0.338 . . . . 0.0 111.253 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 37.4 m-80 -58.55 -49.52 77.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 O-C-N 123.997 0.811 . . . . 0.0 111.533 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' HD2' ' B' ' 13' ' ' LYS . 11.1 tppt? -62.85 -42.9 99.93 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.986 -176.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.7 ttpt -55.65 -52.3 64.29 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 125.112 1.365 . . . . 0.0 108.841 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.47 -38.98 93.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.706 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 48.3 mt-10 -57.27 -44.21 83.77 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.461 0.648 . . . . 0.0 109.702 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -69.99 -41.53 74.29 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.289 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.6 mt -57.8 -42.02 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.48 -33.25 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.701 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' B' ' 10' ' ' ILE . 86.3 mt -71.35 -48.86 47.65 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.505 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.592 ' O ' HD13 ' A' ' 26' ' ' LEU . 16.6 m -63.52 -32.36 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 119.117 -1.033 . . . . 0.0 111.362 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.19 -51.77 66.49 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 122.772 0.429 . . . . 0.0 111.504 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.4 -19.0 65.23 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.114 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 45.5 t-80 -59.65 -34.48 72.87 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.735 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.12 -5.12 0.46 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.302 -1.428 . . . . 0.0 114.041 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.2 mp -57.04 145.11 31.69 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 31' ' ' VAL . 14.0 m-20 -79.99 170.34 16.6 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 29.3 t-80 -60.79 -40.72 93.68 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.87 -43.24 85.86 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.46 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -62.57 -43.13 99.59 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.911 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.9 t -62.7 -40.49 88.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 O-C-N 123.605 0.566 . . . . 0.0 109.871 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.2 mt -64.72 -53.3 49.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.64 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.13 -43.53 91.99 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.988 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.85 -52.13 65.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' HD13 ' A' ' 18' ' ' ILE . 33.5 p -63.89 -34.93 79.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 20.7 mtp180 -60.8 -55.11 36.95 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.97 -40.53 91.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.515 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.08 -47.0 87.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.74 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.75 -46.21 90.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.193 0.52 . . . . 0.0 109.746 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.9 -36.8 80.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.731 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.198 0.523 . . . . 0.0 109.906 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' MET . 73.0 mt -67.33 -45.16 86.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.331 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.74 -35.59 68.77 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.199 0.523 . . . . 0.0 110.646 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -63.25 -46.47 86.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.132 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.85 -26.08 49.13 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 14.9 mmt -68.52 -17.58 64.19 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 172.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.5 t30 64.96 32.07 10.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.067 2.147 . . . . 0.0 110.064 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 t 60.67 103.58 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.006 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -100.39 104.85 16.29 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.111 173.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -158.95 -166.75 1.93 Allowed 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 -172.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -103.56 15.42 28.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.68 144.1 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.471 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.878 -174.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -71.01 116.8 11.72 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -103.8 150.87 23.7 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' H ' HD23 ' A' ' 55' ' ' LEU . 2.1 pt? -57.11 129.85 43.53 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 123.978 0.799 . . . . 0.0 111.408 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' OE2' ' HA ' ' A' ' 60' ' ' HIS . 9.1 pt-20 -86.45 129.42 34.86 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.696 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -107.49 -31.09 8.28 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -124.83 161.8 25.71 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 65.88 29.12 10.55 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.85 0.86 . . . . 0.0 111.172 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.49 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 15.9 m80 -51.46 134.8 28.51 Favored 'General case' 0 C--O 1.25 1.125 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -90.23 160.56 16.13 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.341 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 C--N 1.299 -1.598 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.174 -177.006 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.836 0.827 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -84.35 149.38 26.07 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.38 -171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -60.69 -25.36 66.34 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.18 -27.94 73.53 Favored Glycine 0 C--N 1.322 -0.241 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -87.01 -35.01 19.03 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.24 -45.52 94.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.636 -1.166 . . . . 0.0 109.014 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -30.57 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.343 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -67.79 -42.37 81.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -70.09 -31.19 68.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' A' ' 20' ' ' LEU . 54.2 mt -60.55 -47.05 94.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.51 -52.83 60.74 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.876 0.735 . . . . 0.0 109.733 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.5 -49.72 69.51 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.672 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.508 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 1.5 tppp? -66.97 -39.34 87.2 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' O ' HG13 ' B' ' 18' ' ' ILE . 36.9 ttpt -59.88 -45.68 91.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.751 0.821 . . . . 0.0 109.351 174.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 85.2 mttt -64.95 -38.87 92.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.958 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -55.86 -41.74 74.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.611 0.719 . . . . 0.0 109.383 172.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -68.43 -44.39 75.06 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.437 -179.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 14' ' ' LYS . 79.8 mt -57.76 -40.16 74.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 53.0 mt-30 -62.23 -43.22 99.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.047 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.512 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.6 mp -59.96 -54.14 49.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.3 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.2 -38.48 68.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-O 121.322 0.582 . . . . 0.0 111.088 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.62 67.86 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.736 0.814 . . . . 0.0 112.312 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 16.2 ptm180 -73.25 -11.25 60.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.702 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.465 ' HD1' HD12 ' A' ' 6' ' ' LEU . 15.5 t60 -64.19 -57.61 9.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.46 0.05 OUTLIER Glycine 0 N--CA 1.426 -1.991 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.783 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 45.3 mt -102.33 155.91 17.93 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.284 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 31' ' ' VAL . 18.4 m-20 -97.68 171.19 8.5 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.573 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 28.0 t60 -57.47 -38.01 73.81 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.46 0.475 . . . . 0.0 111.663 -173.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.1 -40.7 96.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 111.01 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.0 mmtt -64.8 -43.38 93.37 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.2 t -58.61 -43.8 88.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.539 0.524 . . . . 0.0 110.202 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 60.8 mt -65.15 -48.49 73.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.264 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.37 -41.03 90.03 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.053 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -63.31 -54.44 36.98 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 123.758 0.661 . . . . 0.0 110.897 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 38.4 p -57.74 -39.99 78.64 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -78.78 -30.42 45.53 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.771 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.8 t70 -74.43 -37.55 63.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.86 -47.82 84.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.344 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.28 -42.24 81.26 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.88 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 14.0 pttm -65.95 -39.74 90.72 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.741 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.94 -37.61 88.22 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.376 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.0 mt -70.55 -54.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.782 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.405 ' HB3' HG21 ' B' ' 48' ' ' VAL . 82.3 m-20 -53.94 -37.52 63.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.151 0.58 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -58.87 -48.39 81.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.716 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.469 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -78.84 -29.51 44.68 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.9 mtp -68.53 -19.44 64.5 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 70.43 70.23 0.21 Allowed 'General case' 0 C--O 1.247 0.959 0 C-N-CA 125.499 1.52 . . . . 0.0 109.4 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.405 HG21 ' HB3' ' B' ' 43' ' ' ASN . 28.4 m -85.6 118.16 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.829 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.646 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -94.17 89.27 5.91 Favored 'General case' 0 C--N 1.262 -3.225 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.164 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.54 ' OD1' ' HG2' ' B' ' 51' ' ' LYS . 5.8 t70 -148.27 -165.98 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' B' ' 50' ' ' ASP . 17.6 pttm -108.82 12.52 25.51 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-O 122.801 1.286 . . . . 0.0 108.379 -173.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.63 -19.65 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.034 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.199 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -96.85 84.7 3.63 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 121.938 0.875 . . . . 0.0 108.863 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.92 96.73 9.9 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 tp -76.68 90.15 3.39 Favored 'General case' 0 N--CA 1.4 -2.94 0 CA-C-O 122.707 1.241 . . . . 0.0 113.058 -171.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -159.93 81.88 0.72 Allowed 'General case' 0 C--N 1.269 -2.917 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.933 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -125.78 -62.81 1.16 Allowed 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.509 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -140.0 78.54 1.66 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.782 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -86.37 132.83 33.87 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -91.36 106.39 18.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.326 0.584 . . . . 0.0 109.439 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -128.04 -174.45 3.21 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 38.9 m80 . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.157 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 tpp . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -92.43 110.74 22.15 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -177.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.9 mtt -88.38 -15.48 35.44 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.16 97.9 Favored Glycine 0 N--CA 1.438 -1.172 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 21.0 pt20 -64.88 -37.2 86.83 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.569 0.747 . . . . 0.0 110.885 177.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -71.1 -46.08 62.45 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 8.1 mmmt -62.1 -35.35 78.42 Favored 'General case' 0 CA--C 1.499 -1.005 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.478 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -60.66 -47.0 88.21 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 123.67 0.606 . . . . 0.0 110.573 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.07 -40.44 95.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.85 -52.72 58.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.863 0.727 . . . . 0.0 110.458 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 17.1 mm-40 -54.39 -49.45 69.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 124.929 1.291 . . . . 0.0 111.461 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.67 -40.62 72.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.843 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 29.4 ttpt -58.31 -44.46 88.59 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.244 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' ILE . 58.1 mtpt -64.21 -41.28 97.11 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.649 0.78 . . . . 0.0 111.808 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.2 -42.3 81.03 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.773 0.67 . . . . 0.0 109.741 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.9 tp -65.15 -46.49 80.68 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.233 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -53.67 -42.79 52.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 123.807 0.692 . . . . 0.0 110.224 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -61.34 -34.97 76.15 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.673 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.61 -47.68 30.89 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.364 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.526 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.1 t -62.25 -34.54 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.24 0.543 . . . . 0.0 109.865 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.71 -51.98 65.07 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.165 0.586 . . . . 0.0 111.755 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -64.82 -17.87 64.62 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 33.7 t-80 -57.17 -34.6 68.63 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.457 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.57 -15.0 0.25 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.85 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 10.5 mp -57.1 146.98 25.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 t70 -95.2 176.72 6.11 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 14.6 t-80 -58.91 -37.85 77.57 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 123.189 0.596 . . . . 0.0 109.898 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.32 -38.29 90.5 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.321 0.582 . . . . 0.0 110.115 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -72.4 -37.74 68.62 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.652 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 83.5 t -66.6 -39.31 83.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 94.6 mt -63.25 -53.86 46.37 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.226 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.04 -42.03 97.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.414 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -65.02 -49.53 69.83 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.2 p -61.66 -33.74 74.49 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 82.6 mtp180 -71.05 -52.93 16.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.669 0.271 . . . . 0.0 110.725 177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.99 -42.82 99.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.056 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 42' ' ' ILE . 29.5 tp -61.57 -43.69 98.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.702 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.96 -46.95 87.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.473 0.654 . . . . 0.0 109.355 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.365 -1.288 . . . . 0.0 111.56 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.16 -43.94 92.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.818 0.447 . . . . 0.0 111.642 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.617 ' O ' ' HG3' ' A' ' 46' ' ' MET . 68.2 mt -65.37 -57.02 12.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.017 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.54 -28.76 63.81 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.781 0.832 . . . . 0.0 111.857 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.79 -44.42 93.39 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.686 0.794 . . . . 0.0 109.924 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -77.96 -35.19 50.58 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.812 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 61.5 mtp -70.29 -32.37 70.12 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.872 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.3 t30 75.25 58.88 0.06 Allowed 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.084 1.754 . . . . 0.0 109.58 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG23 ' HB2' ' A' ' 46' ' ' MET . 48.4 t -90.54 100.38 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.262 0 CA-C-O 122.652 1.215 . . . . 0.0 110.228 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -122.41 139.41 53.88 Favored 'General case' 0 C--N 1.248 -3.828 0 N-CA-C 103.901 -2.629 . . . . 0.0 103.901 169.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' OD2' HG22 ' A' ' 52' ' ' VAL . 24.1 t70 -42.88 128.36 4.23 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 124.771 1.294 . . . . 0.0 111.799 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -115.4 35.78 4.24 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.291 -171.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG22 ' OD2' ' A' ' 50' ' ' ASP . 24.6 m -71.22 10.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -73.02 -25.71 61.05 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 171.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 70.74 169.1 0.31 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.359 1.864 . . . . 0.0 111.831 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.2 mt -128.4 160.98 30.55 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.06 73.51 9.04 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-O 122.262 1.03 . . . . 0.0 111.189 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -66.76 -26.53 67.02 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.171 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -64.48 -23.69 67.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.616 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . 0.274 28.9 m170 -84.77 72.65 10.71 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -109.27 -48.18 3.3 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -101.1 122.93 44.45 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 168.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 . . . . . 0 C--N 1.291 -1.949 0 CA-C-O 119.194 -0.431 . . . . 0.0 109.899 -176.857 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.25 175.98 10.93 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.252 -176.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -132.21 -1.29 3.63 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.758 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.92 -38.09 12.03 Favored Glycine 0 C--O 1.242 0.622 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.345 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 72.6 mt-30 -83.63 -28.32 28.53 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.74 -47.63 85.42 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 172.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -61.41 -35.59 77.95 Favored 'General case' 0 C--O 1.199 -1.562 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.6 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -65.38 -37.84 88.21 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 122.887 0.475 . . . . 0.0 109.777 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 45.2 mmtm -64.52 -47.18 79.84 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.72 -50.98 64.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 O-C-N 124.227 0.954 . . . . 0.0 109.592 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.3 mm-40 -53.87 -62.29 1.75 Allowed 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 123.667 0.604 . . . . 0.0 111.602 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 8.8 t30 -54.45 -43.73 71.89 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 124.106 0.879 . . . . 0.0 111.811 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -65.95 -47.31 75.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.234 0.54 . . . . 0.0 111.14 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' B' ' 18' ' ' ILE . 30.5 ttpt -58.5 -44.18 89.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.608 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 92.1 mttt -65.48 -41.05 93.75 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.055 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.0 mt-10 -55.61 -39.74 71.18 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 173.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 21' ' ' VAL . 14.5 tp -68.59 -47.28 67.13 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.616 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 14' ' ' LYS . 82.3 mt -54.63 -42.93 63.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 123.563 0.54 . . . . 0.0 109.735 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 77.3 mt-30 -57.31 -39.17 75.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.987 176.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.504 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 93.5 mt -72.62 -46.83 52.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 17' ' ' LEU . 17.4 t -62.05 -36.56 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 121.575 0.702 . . . . 0.0 109.631 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.18 85.33 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.638 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 10.9 ptm180 -74.57 -6.1 46.64 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.4 t60 -69.91 -37.24 75.9 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.32 44.21 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.939 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.945 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 25.7 mt -99.8 142.87 30.71 Favored 'General case' 0 CA--C 1.479 -1.76 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.256 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.515 ' O ' HG23 ' B' ' 31' ' ' VAL . 2.1 m-20 -69.79 159.58 33.31 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.666 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 34.9 m-70 -64.07 -30.46 71.53 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.349 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.2 -38.84 92.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.633 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 33.4 mmtp -63.31 -48.25 78.84 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.5 t -57.76 -43.47 84.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 123.489 0.716 . . . . 0.0 110.07 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 65.4 mt -61.75 -53.74 51.95 Favored 'General case' 0 CA--C 1.508 -0.645 0 C-N-CA 122.446 0.299 . . . . 0.0 111.285 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.07 -42.22 98.09 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.523 0.514 . . . . 0.0 110.888 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 66.1 t80 -63.63 -54.23 39.06 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.117 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 43.1 p -59.47 -41.76 90.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 18.0 ptm180 -69.61 -37.12 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.841 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 4.4 t70 -80.6 -31.02 36.82 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 119.466 -0.894 . . . . 0.0 110.073 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.1 -47.34 83.25 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.864 173.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.78 -41.21 90.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.447 0.641 . . . . 0.0 109.447 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 37.2 ttmt -63.05 -46.87 85.48 Favored 'General case' 0 N--CA 1.414 -2.245 0 C-N-CA 124.529 1.132 . . . . 0.0 110.328 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.79 -39.73 81.97 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.414 0.686 . . . . 0.0 110.437 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.693 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.0 mt -67.11 -54.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.527 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -51.42 -36.65 44.7 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.133 0.573 . . . . 0.0 111.859 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.61 -53.02 62.43 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 124.073 0.949 . . . . 0.0 109.636 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -75.58 -26.78 58.21 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.693 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.1 mtp -71.39 -13.49 61.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 175.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.41 81.05 0.21 Allowed 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 126.273 1.829 . . . . 0.0 110.48 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 18.9 m -91.76 115.59 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.464 1.126 . . . . 0.0 112.575 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -118.86 32.41 6.15 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD2' HG22 ' B' ' 52' ' ' VAL . 26.7 t0 -49.09 122.11 5.55 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 112.607 -2.088 . . . . 0.0 111.328 -172.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' B' ' 51' ' ' LYS . 49.4 pttt -77.28 12.93 1.3 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -168.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.427 HG22 ' OD2' ' B' ' 50' ' ' ASP . 22.7 m -98.54 -8.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 172.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -118.83 102.53 8.87 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.792 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -114.85 19.89 15.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 45.59 -164.2 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 126.49 1.916 . . . . 0.0 113.32 -174.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.0 -25.42 65.39 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 t60 72.41 28.42 2.3 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 110.303 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -84.18 83.15 8.07 Favored 'General case' 0 N--CA 1.427 -1.606 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.702 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -98.47 116.99 31.88 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -84.26 124.52 31.31 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.267 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -136.92 130.47 31.68 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--N 1.282 -2.366 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.616 -174.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.86 122.42 12.17 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.418 0.628 . . . . 0.0 110.662 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mmt -83.67 -3.97 58.2 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.258 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.41 -41.24 79.88 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 10.8 pt20 -80.17 -24.95 39.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.261 0.553 . . . . 0.0 111.332 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.71 -45.4 52.46 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -65.86 -30.48 71.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.011 177.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 9.8 t-20 -58.48 -50.31 74.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.359 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.39 -37.78 80.69 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.426 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.52 -51.72 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 58.0 mm-40 -57.01 -52.35 65.62 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 123.251 0.344 . . . . 0.0 111.138 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -60.31 -44.48 95.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -70.48 -38.51 74.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.925 0.393 . . . . 0.0 110.706 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' A' ' 42' ' ' ILE . 33.9 ttpt -61.15 -43.77 98.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.543 175.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 60.2 mtpt -68.77 -34.71 76.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 48.5 mt-10 -58.43 -42.61 87.67 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -67.18 -43.84 81.18 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 14' ' ' LYS . 90.5 mt -55.53 -40.25 57.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.307 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 77.2 mt-30 -57.54 -43.98 84.79 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.433 0.458 . . . . 0.0 110.811 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.665 ' HB3' HG12 ' B' ' 10' ' ' ILE . 3.1 mm? -62.3 -52.41 63.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.31 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 1.6 m -65.91 -31.39 53.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.366 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -67.32 -48.35 67.83 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 122.147 -0.346 . . . . 0.0 111.6 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -64.95 -19.12 65.8 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.719 0.295 . . . . 0.0 111.156 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.0 t-80 -55.39 -42.99 74.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.517 0.727 . . . . 0.0 110.584 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -8.19 0.2 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.649 -1.262 . . . . 0.0 113.503 -176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' B' ' 45' ' ' PHE . 10.9 mp -56.65 141.67 42.74 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -77.61 163.78 25.93 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.7 m80 -60.03 -34.8 73.87 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.6 t70 -56.76 -44.5 81.85 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.58 1.152 . . . . 0.0 110.327 175.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -68.03 -38.52 82.64 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' ASP . 84.7 t -64.87 -38.93 84.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.866 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 92.8 mt -63.51 -47.33 82.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.006 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 48.2 mt -69.43 -38.34 77.83 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -65.52 -52.38 53.09 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -59.5 -39.18 82.96 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -74.46 -38.08 63.06 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 44.5 t0 -69.21 -38.69 78.7 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.987 0.898 . . . . 0.0 109.139 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 11.9 tp -67.02 -42.04 85.58 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.516 177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.09 -41.9 99.5 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.254 0.549 . . . . 0.0 110.102 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 20.4 pttp -70.52 -32.53 70.04 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.887 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 49.6 tp -67.97 -36.84 80.74 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 46' ' ' MET . 70.9 mt -73.5 -51.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.178 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.33 -31.93 55.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.872 0.469 . . . . 0.0 111.775 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 39.2 ttmt -57.72 -48.77 78.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.119 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' B' ' 26' ' ' LEU . 38.1 m-85 -80.56 -27.99 37.36 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.311 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.661 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 82.5 mtp -68.66 -33.06 73.34 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.895 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.7 m120 60.33 32.68 20.76 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 121.416 0.627 . . . . 0.0 110.502 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 m -77.05 82.14 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 CA-C-O 123.333 1.54 . . . . 0.0 114.182 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -118.22 9.22 12.5 Favored 'General case' 0 C--N 1.27 -2.884 0 CA-C-N 112.389 -2.187 . . . . 0.0 107.249 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.32 94.94 6.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 113.595 -1.639 . . . . 0.0 110.803 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -131.63 13.82 4.93 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 m -108.71 35.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.932 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -83.11 70.54 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.24 0.543 . . . . 0.0 110.389 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? 164.41 162.52 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 127.542 2.337 . . . . 0.0 105.171 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -104.81 162.96 12.86 Favored 'General case' 0 C--N 1.281 -2.393 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 56' ' ' GLU . 4.8 tp10 -128.11 81.4 2.02 Favored 'General case' 0 N--CA 1.415 -2.215 0 CA-C-O 122.109 0.957 . . . . 0.0 109.427 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -126.71 -26.03 3.29 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.517 -1.219 . . . . 0.0 112.367 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.38 -30.52 27.33 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -79.43 94.72 5.6 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -107.05 118.6 37.13 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.928 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -76.2 149.76 37.2 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.409 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 . . . . . 0 C--N 1.296 -1.726 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.04 105.22 7.98 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 123.575 0.547 . . . . 0.0 109.758 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.9 mtp -62.76 -34.27 76.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.63 96.78 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 14.9 mm100 -69.71 -42.07 74.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.397 -0.402 . . . . 0.0 109.938 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.25 -45.12 84.25 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.887 0.742 . . . . 0.0 109.861 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -62.76 -36.31 82.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.543 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -76.39 -20.39 57.18 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.222 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.6 mmtp -75.24 -35.99 61.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.665 HG12 ' HB3' ' A' ' 20' ' ' LEU . 82.3 mt -61.06 -48.43 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.856 173.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 65.9 mm-40 -54.36 -51.39 64.94 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.567 0.542 . . . . 0.0 109.774 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.75 -53.72 53.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.391 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -65.37 -41.07 94.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 31.3 ttpt -58.04 -45.06 87.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -64.83 -39.27 93.3 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.73 -37.68 79.6 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.204 0.526 . . . . 0.0 109.592 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.432 ' O ' HG23 ' B' ' 21' ' ' VAL . 16.1 tp -69.74 -47.3 63.54 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.498 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 89.4 mt -53.66 -44.11 56.95 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 123.576 0.547 . . . . 0.0 110.001 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -59.0 -33.6 70.9 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.676 0.61 . . . . 0.0 111.531 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 97.5 mt -78.48 -45.81 21.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 17' ' ' LEU . 21.4 t -60.96 -35.87 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.65 -51.46 69.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 17.2 ptm180 -75.32 2.6 10.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 36.6 t-80 -73.6 -29.53 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.29 0.98 0.41 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.056 -1.069 . . . . 0.0 112.317 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -73.06 136.74 45.01 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-O 121.952 0.882 . . . . 0.0 112.429 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.544 ' O ' HG23 ' B' ' 31' ' ' VAL . 20.6 m-20 -79.83 166.02 22.14 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 173.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.588 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 82.9 m-70 -64.36 -26.49 68.49 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 118.721 0.691 . . . . 0.0 112.276 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -64.81 -43.79 92.02 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 18.0 mmtp -61.15 -40.27 93.21 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.88 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 27' ' ' ASP . 57.6 t -62.91 -43.38 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 123.019 0.527 . . . . 0.0 110.155 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.3 mt -62.1 -50.1 73.3 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.902 0.481 . . . . 0.0 110.409 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.13 -40.93 97.58 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -66.78 -52.61 42.1 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.001 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.9 p -59.36 -39.18 82.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 17.5 ptm180 -70.76 -40.66 72.55 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.99 -37.75 66.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.41 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.84 -46.12 90.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.099 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.68 -39.47 88.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.078 0.466 . . . . 0.0 110.145 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.57 -31.98 65.66 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.462 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.5 tt -62.94 -43.62 98.31 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.8 mt -67.58 -51.14 54.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.775 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -56.03 -32.75 64.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 35.4 ttmt -55.6 -38.62 69.66 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 124.334 1.054 . . . . 0.0 109.717 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.584 ' HB3' HD21 ' A' ' 26' ' ' LEU . 36.6 m-85 -94.66 -31.36 13.87 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.1 mtp -69.73 -39.53 76.74 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.255 0.55 . . . . 0.0 109.813 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 67.21 9.37 6.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.272 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' B' ' 46' ' ' MET . 14.4 m -99.56 94.59 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.924 0 CA-C-O 123.044 1.402 . . . . 0.0 110.65 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -113.87 41.65 2.18 Favored 'General case' 0 C--N 1.266 -3.048 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.793 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -78.13 37.53 0.26 Allowed 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.883 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.33 4.93 11.63 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 122.059 0.933 . . . . 0.0 109.696 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 m -74.78 -26.78 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.555 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -122.35 -13.22 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 76.86 -179.92 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.963 1.705 . . . . 0.0 109.426 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.35 147.88 29.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -74.59 137.01 42.03 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -78.63 -32.54 47.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 66.92 35.52 4.76 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.37 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -89.95 78.03 6.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -141.84 140.05 32.85 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.235 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -98.68 9.61 42.94 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 122.133 0.968 . . . . 0.0 109.55 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 79.6 t60 . . . . . 0 C--N 1.306 -1.317 0 CA-C-N 114.003 -1.453 . . . . 0.0 108.722 178.061 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 CA--C 1.494 -1.181 0 CA-C-O 120.987 0.422 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -118.1 136.62 53.47 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 172.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.95 -0.47 24.45 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.06 -49.08 78.53 Favored Glycine 0 C--N 1.314 -0.64 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.91 -34.79 75.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.089 0.471 . . . . 0.0 111.085 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.87 -44.6 76.7 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.251 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -30.29 70.07 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.065 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -63.65 -41.64 98.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.1 -46.0 92.4 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.789 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.4 -53.55 44.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.588 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -56.24 -53.42 57.39 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.553 0.533 . . . . 0.0 110.921 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -56.71 -49.87 73.87 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 123.907 0.754 . . . . 0.0 112.742 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.62 -35.03 76.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.385 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.536 ' HD3' HD12 ' A' ' 42' ' ' ILE . 36.5 ttpt -59.63 -48.56 81.19 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 123.92 0.888 . . . . 0.0 109.173 173.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.04 -41.54 90.73 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.256 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -57.56 -38.17 74.35 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.535 0.522 . . . . 0.0 109.913 173.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -67.65 -47.08 70.56 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.448 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.7 mt -55.12 -42.91 67.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 O-C-N 123.741 0.651 . . . . 0.0 110.184 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -57.71 -42.78 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.653 0.596 . . . . 0.0 110.904 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.79 -48.03 64.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.086 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.63 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.7 t -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-O 121.08 0.467 . . . . 0.0 110.134 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.83 -52.44 64.14 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.426 0.69 . . . . 0.0 112.528 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.43 -19.15 65.82 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.12 -176.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.9 t-80 -55.0 -33.93 63.01 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.464 0.706 . . . . 0.0 110.969 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.0 3.93 0.17 Allowed Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 119.215 -1.469 . . . . 0.0 113.197 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.8 mp -69.55 144.62 53.04 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 121.726 0.774 . . . . 0.0 112.059 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.3 m-20 -83.4 169.51 15.49 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.022 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.59 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -57.65 -43.78 85.19 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.386 0.429 . . . . 0.0 110.46 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.9 t70 -63.56 -37.88 89.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.757 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.56 -41.78 96.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.631 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.3 t -62.09 -41.7 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 78.6 mt -62.18 -50.09 73.22 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.597 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 78.1 mt -59.28 -48.88 79.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.51 0.506 . . . . 0.0 110.313 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.14 -52.41 64.98 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.28 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -60.78 -42.81 98.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 16.8 ptm180 -72.53 -34.14 67.36 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.539 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 5.0 t70 -78.29 -36.78 46.14 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.804 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.727 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.08 -44.53 87.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.954 0.407 . . . . 0.0 110.339 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 37' ' ' ASP . 54.0 mtmt -64.51 -42.11 96.01 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.709 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 47.4 tp -57.61 -43.19 84.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 123.629 0.581 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.725 ' O ' ' HG3' ' A' ' 46' ' ' MET . 72.4 mt -67.1 -54.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.123 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -56.63 -30.9 63.8 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.8 ttmt -57.92 -49.68 75.93 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.75 1.22 . . . . 0.0 109.92 176.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' B' ' 26' ' ' LEU . 42.5 m-85 -77.44 -26.47 51.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.514 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.725 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 51.3 mtp -73.68 -18.93 60.96 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 59.1 t30 69.46 20.2 7.29 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 122.954 1.359 . . . . 0.0 108.301 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 50' ' ' ASP . 48.4 t -102.18 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.221 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -112.3 39.01 2.55 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' H ' HG12 ' A' ' 48' ' ' VAL . 3.5 t70 69.81 -178.7 0.22 Allowed 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.677 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -97.56 9.2 43.08 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 121.725 0.774 . . . . 0.0 110.288 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.95 -23.34 12.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.872 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -88.67 105.66 17.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -91.46 103.71 16.3 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.044 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 55' ' ' LEU . 1.9 pt? -106.41 103.65 13.15 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 173.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.56 -37.55 18.04 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -134.98 144.09 47.21 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -86.48 67.11 9.8 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 119.421 -0.911 . . . . 0.0 109.928 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -89.97 72.03 7.46 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.479 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -109.12 10.01 26.07 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -97.11 135.08 39.59 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 114.191 -1.368 . . . . 0.0 108.23 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 m80 . . . . . 0 C--N 1.289 -2.062 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -178.102 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 CA--C 1.504 -0.826 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -95.98 113.26 24.87 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.7 mmt -59.74 -35.58 74.87 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 123.681 0.613 . . . . 0.0 112.303 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.74 -37.97 95.7 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.726 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 17.5 mm-40 -81.57 -35.87 29.71 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.189 0.519 . . . . 0.0 110.103 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.27 -44.74 95.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.093 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -34.77 79.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.409 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -61.12 -45.05 96.29 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.241 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 75.3 mmtt -65.27 -38.78 91.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.54 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.3 mt -58.27 -49.97 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -56.12 -51.2 68.77 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 123.505 0.503 . . . . 0.0 110.21 178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -58.16 -47.22 84.04 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.93 0.769 . . . . 0.0 111.596 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -67.53 -45.11 76.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.033 0.444 . . . . 0.0 111.306 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.565 ' O ' HG13 ' B' ' 18' ' ' ILE . 33.9 ttpt -56.41 -46.16 80.33 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 124.541 1.136 . . . . 0.0 109.364 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.47 -41.01 93.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.231 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.517 ' O ' HD22 ' B' ' 20' ' ' LEU . 35.2 mt-10 -55.06 -45.9 75.34 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 123.654 0.596 . . . . 0.0 110.119 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -63.24 -44.72 94.4 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.29 -179.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 14' ' ' LYS . 64.4 mt -56.67 -38.48 57.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.51 -36.0 77.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.02 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.517 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.1 mm? -74.82 -49.44 20.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.401 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.0 p -66.92 -30.8 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 119.479 -0.888 . . . . 0.0 112.58 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.76 -45.44 92.66 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 122.198 -0.314 . . . . 0.0 111.184 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -74.01 -12.27 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.672 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 22.1 t-80 -58.92 -42.73 90.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.08 0.466 . . . . 0.0 110.148 175.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.95 -16.62 0.06 OUTLIER Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.404 -176.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.8 mp -53.21 134.31 39.13 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 121.553 0.692 . . . . 0.0 112.606 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.558 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.6 t70 -86.12 -177.5 6.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.539 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 12.2 m170 -61.08 -36.41 79.56 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 122.55 0.34 . . . . 0.0 110.602 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -71.24 -39.79 71.44 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.923 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.469 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 31.8 mmtm -62.36 -38.41 89.43 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.258 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 27' ' ' ASP . 38.8 t -67.35 -34.93 72.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 89.2 mt -69.7 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.372 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -42.77 99.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.134 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 90.1 t80 -63.38 -51.73 64.65 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -60.04 -35.68 75.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -77.92 -35.79 50.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 3.8 t70 -75.01 -32.21 61.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -178.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.7 -47.75 68.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.051 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.78 -43.73 90.5 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.274 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 43.9 pttt -64.94 -37.87 89.09 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.494 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.78 -35.6 78.98 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.526 0.679 . . . . 0.0 109.358 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.591 ' O ' ' HG2' ' B' ' 46' ' ' MET . 61.2 mt -73.37 -51.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.91 -35.87 69.52 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.002 0.43 . . . . 0.0 110.932 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.82 -52.81 62.73 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.231 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.472 ' HB3' HD21 ' A' ' 26' ' ' LEU . 55.3 m-85 -75.95 -23.51 55.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.591 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 97.8 mmm -73.04 -8.57 56.35 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 69.51 21.86 6.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.234 1.414 . . . . 0.0 110.739 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -113.82 108.64 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 CA-C-O 122.627 1.203 . . . . 0.0 110.713 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -144.01 44.11 1.45 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.738 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.79 79.18 0.62 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.935 1.35 . . . . 0.0 110.967 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -113.3 20.65 15.98 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.033 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.5 m -61.68 110.01 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.907 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -97.55 142.56 29.23 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.33 -173.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -87.69 162.52 17.04 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.601 175.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -108.04 143.91 36.11 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' B' ' 61' ' ' HIS . 0.4 OUTLIER -115.89 120.98 40.99 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 178.123 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -128.62 139.97 52.0 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.446 0.641 . . . . 0.0 111.534 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 63.51 19.22 11.58 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 124.542 1.137 . . . . 0.0 113.892 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 73.22 19.23 3.61 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 124.118 0.967 . . . . 0.0 111.092 173.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -150.87 -40.53 0.12 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.259 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' B' ' 56' ' ' GLU . 18.2 m-70 -80.12 104.4 10.66 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.565 0.221 . . . . 0.0 111.104 -171.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 C--N 1.3 -1.561 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.819 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 CA--C 1.503 -0.831 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 33.3 mt-10 -56.29 122.68 12.37 Favored 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 123.456 0.473 . . . . 0.0 110.667 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -76.17 -18.3 59.16 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.522 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.76 94.3 Favored Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 7.2 pt20 -74.83 -32.89 62.07 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.8 tm? -61.22 -41.67 97.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.594 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.23 -35.49 81.0 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.61 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.1 mmmt -68.84 -40.15 79.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mt -56.99 -48.15 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 49.7 mm-40 -57.35 -52.6 64.69 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.453 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.56 -40.9 93.3 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.742 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 1.9 tppp? -74.62 -39.62 62.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.432 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.1 ttpt -56.32 -47.98 77.64 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.23 1.012 . . . . 0.0 109.194 173.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.0 mttm -58.28 -39.37 79.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.814 0.846 . . . . 0.0 112.674 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 59.8 mm-40 -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.717 0.77 . . . . 0.0 109.594 173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -66.44 -43.27 86.1 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.537 -1.21 . . . . 0.0 111.179 -177.566 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.2 mt -55.82 -41.95 68.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.01 -33.36 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.355 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.4 mp -69.22 -52.27 29.48 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.748 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.4 t -60.04 -40.92 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 121.086 0.47 . . . . 0.0 109.926 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.61 -51.39 69.71 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 123.613 0.765 . . . . 0.0 112.293 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.2 -18.64 64.63 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.709 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 6' ' ' LEU . 85.7 t60 -60.37 -37.76 81.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.426 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.15 6.36 0.09 OUTLIER Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 118.928 -1.606 . . . . 0.0 113.691 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.3 mp -66.64 146.45 54.47 Favored 'General case' 0 N--CA 1.412 -2.37 0 CA-C-O 121.621 0.724 . . . . 0.0 112.034 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 31' ' ' VAL . 11.3 m-20 -77.39 167.68 21.27 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.523 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 89.0 m-70 -62.31 -39.17 92.15 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.9 m-20 -63.06 -41.31 99.43 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.788 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 42.2 mmtm -59.91 -44.39 94.32 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.491 0.495 . . . . 0.0 110.569 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 27' ' ' ASP . 55.4 t -59.27 -43.31 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 123.546 0.529 . . . . 0.0 110.132 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.9 mt -63.25 -48.01 80.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.593 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 70.4 mt -65.98 -44.64 84.28 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.613 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.98 -51.23 70.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.964 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 p -60.95 -41.38 96.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.24 -34.84 63.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.384 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.89 -40.67 72.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.5 tp -58.33 -47.23 84.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.951 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.67 -45.46 94.08 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.429 0.456 . . . . 0.0 110.212 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.21 -36.46 83.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.088 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.28 -39.72 95.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.695 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.0 mt -65.5 -54.18 31.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -52.16 -38.4 57.54 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.851 0.86 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -57.74 -49.6 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.342 1.057 . . . . 0.0 110.448 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -75.29 -33.1 61.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.695 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 74.2 mtp -65.57 -26.37 67.83 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 58.35 74.34 0.44 Allowed 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 125.267 1.427 . . . . 0.0 108.779 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -103.06 132.89 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.086 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -112.99 86.11 2.31 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' OD1' HG22 ' A' ' 52' ' ' VAL . 4.3 t70 -126.95 154.09 44.99 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.131 -0.941 . . . . 0.0 112.733 -172.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.74 -35.5 56.14 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 127.589 2.355 . . . . 0.0 116.227 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG22 ' OD1' ' A' ' 50' ' ' ASP . 34.7 m -106.07 -12.78 9.74 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.188 0 CA-C-O 121.035 0.445 . . . . 0.0 112.023 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -87.24 -16.71 34.45 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.329 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -136.79 149.08 47.57 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.143 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.94 123.9 14.36 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 120.924 0.393 . . . . 0.0 110.588 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -107.8 -1.75 20.59 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.354 0.597 . . . . 0.0 110.19 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.05 147.24 38.85 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.498 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -82.91 -28.89 29.61 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.142 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 68.4 -46.64 0.54 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.643 1.577 . . . . 0.0 113.608 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -79.19 94.86 5.48 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -89.2 -23.43 22.39 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.519 0.676 . . . . 0.0 109.888 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 N--CA 1.422 -1.857 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.569 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.0 tpp . . . . . 0 CA--C 1.509 -0.616 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -127.99 136.67 51.62 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 64.2 mtt -123.91 -44.83 2.04 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.417 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 -43.13 78.13 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -68.88 -21.85 64.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.779 0.799 . . . . 0.0 109.321 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.6 tm? -80.16 -51.96 8.35 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.043 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.42 82.87 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.549 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -60.77 -44.54 96.63 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.395 0.434 . . . . 0.0 110.228 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -62.56 -49.78 73.92 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 123.331 0.394 . . . . 0.0 111.036 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 20' ' ' LEU . 60.2 mt -50.25 -54.38 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 0.0 111.033 175.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 54.9 mm-40 -58.78 -55.29 36.98 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 123.331 0.395 . . . . 0.0 111.036 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -58.21 -47.5 83.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.36 -37.96 80.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 -175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.1 ttpt -59.75 -48.09 83.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.106 0.963 . . . . 0.0 109.054 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 7.3 mtpm? -62.78 -40.62 97.88 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.435 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.89 -41.22 82.13 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 110.325 175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 -45.16 69.98 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 14' ' ' LYS . 93.6 mt -55.03 -42.56 65.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 123.32 0.388 . . . . 0.0 110.052 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.03 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.404 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 84.8 mt -71.16 -49.37 44.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.581 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.18 -40.02 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 121.283 0.564 . . . . 0.0 109.896 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.03 79.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.546 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 16.5 ptm180 -76.31 1.27 16.6 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.42 ' HB2' HD11 ' A' ' 6' ' ' LEU . 84.8 t60 -74.33 -29.28 61.53 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.99 42.34 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.872 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.2 mt -96.89 149.05 22.31 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.621 0.724 . . . . 0.0 111.676 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.476 ' O ' HG23 ' B' ' 31' ' ' VAL . 24.7 t70 -81.93 167.64 18.73 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.565 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 32.1 t60 -58.49 -33.92 70.33 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.846 0.294 . . . . 0.0 110.342 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -36.42 77.6 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.5 mmtm -67.37 -43.52 81.22 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.025 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -60.98 -42.85 94.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 O-C-N 123.647 0.592 . . . . 0.0 109.646 177.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 54.6 mt -65.74 -47.25 75.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.682 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.59 -43.01 91.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.189 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -64.59 -49.9 69.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -58.51 -39.15 79.3 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 13.3 ptm180 -77.0 -41.25 43.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.189 -177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 0.5 OUTLIER -73.56 -28.86 62.09 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.47 -41.44 93.36 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.35 -46.71 89.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 94.3 mttt -55.33 -49.3 72.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.127 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.69 -42.72 89.21 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.999 0.519 . . . . 0.0 111.358 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.615 ' O ' ' HG3' ' B' ' 46' ' ' MET . 70.2 mt -66.23 -53.8 33.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -51.4 -38.3 52.75 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.118 0.967 . . . . 0.0 111.34 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.06 -43.87 87.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.094 0.958 . . . . 0.0 110.394 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -86.15 -24.22 26.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.772 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 63.3 mtp -79.11 -6.57 56.78 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.522 0.677 . . . . 0.0 109.324 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 63.4 64.66 0.8 Allowed 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 125.72 1.608 . . . . 0.0 111.783 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.02 142.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -101.56 31.23 3.87 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-O 122.197 0.999 . . . . 0.0 109.31 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 67.64 160.13 0.16 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 127.066 2.146 . . . . 0.0 112.839 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.29 15.29 2.5 Favored 'General case' 0 C--N 1.308 -1.232 0 C-N-CA 123.824 0.85 . . . . 0.0 112.446 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.7 m -105.6 129.81 57.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.673 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -79.52 140.29 37.3 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.55 ' HD2' ' N ' ' B' ' 54' ' ' LYS . 2.1 mptp? -78.0 132.42 37.81 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.241 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.13 127.68 33.55 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -171.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 45.79 105.94 0.0 OUTLIER 'General case' 0 C--O 1.242 0.704 0 C-N-CA 127.449 2.3 . . . . 0.0 115.78 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -172.2 -50.23 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -76.99 133.24 39.22 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.854 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -95.85 -58.35 2.12 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.348 0.594 . . . . 0.0 111.009 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -113.83 16.49 18.42 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 122.132 0.968 . . . . 0.0 110.942 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -121.49 125.08 45.99 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.463 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? . . . . . 0 CA--C 1.517 -0.325 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 2.0 mp0 53.68 95.19 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.16 1.384 . . . . 0.0 113.696 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -86.65 -15.88 38.31 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.189 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.37 -44.15 98.05 Favored Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 28.4 pt20 -63.83 -34.47 78.0 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 110.69 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.0 tm? -69.09 -46.76 66.97 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -34.19 77.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.776 178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.45 -48.46 81.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.72 0.808 . . . . 0.0 109.086 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.85 -38.62 91.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.092 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -58.52 -52.04 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -56.55 -45.04 81.42 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.713 0.633 . . . . 0.0 110.477 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -56.76 -53.49 57.2 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.946 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -71.39 -35.76 71.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.553 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.6 ttpt -57.75 -49.44 76.56 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 124.139 0.976 . . . . 0.0 109.37 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 7.7 mtpm? -67.33 -36.71 82.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.993 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.25 -41.3 83.92 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-O 121.601 0.715 . . . . 0.0 110.161 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 tp -69.16 -45.18 70.68 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.034 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 14' ' ' LYS . 84.6 mt -55.18 -40.88 57.57 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 O-C-N 123.538 0.524 . . . . 0.0 109.758 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 98.0 mt-30 -55.91 -46.06 78.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.658 0.599 . . . . 0.0 110.539 175.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -68.54 -46.15 70.29 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.34 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 22.8 t -64.53 -33.22 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.228 0.537 . . . . 0.0 110.337 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.44 -52.88 34.23 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.5 ptm180 -66.82 -18.94 65.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.516 0.51 . . . . 0.0 112.039 -178.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.9 t-80 -50.67 -45.76 58.23 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.17 41.17 0.03 OUTLIER Glycine 0 N--CA 1.42 -2.415 0 C-N-CA 120.122 -1.037 . . . . 0.0 112.23 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 19.7 mt -91.0 158.35 16.75 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 121.484 0.659 . . . . 0.0 111.501 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.6 m-20 -83.36 168.03 17.0 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 173.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.596 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 54.3 t-80 -61.64 -41.94 98.2 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 2.7 p30 -62.03 -37.91 86.69 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.486 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.4 mmtm -62.56 -46.73 87.0 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.622 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' ASP . 43.6 t -58.98 -40.41 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 53.9 mt -64.83 -51.75 60.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.7 mt -63.24 -42.28 99.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.599 -178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD1' HD22 ' B' ' 41' ' ' LEU . 75.2 t80 -61.45 -54.76 39.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.21 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 p -62.25 -35.97 80.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -74.57 -37.77 62.87 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.527 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.0 -39.21 79.46 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.58 -43.91 92.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.191 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.43 -44.74 96.6 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.49 -35.79 81.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.31 -42.28 99.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.079 0.466 . . . . 0.0 109.812 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -49.47 76.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.29 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -56.39 -36.39 68.83 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.553 0.216 . . . . 0.0 111.221 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -58.02 -49.71 75.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 110.69 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -81.31 -28.94 34.37 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -70.63 -30.67 67.37 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 56.63 77.04 0.27 Allowed 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 124.818 1.324 . . . . 0.0 110.589 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.41 92.13 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.275 0 CA-C-O 122.294 1.045 . . . . 0.0 109.502 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -142.58 109.9 5.66 Favored 'General case' 0 C--N 1.261 -3.274 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.47 87.91 0.65 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.519 0.676 . . . . 0.0 110.71 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -98.84 12.74 34.82 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.582 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.65 134.75 57.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.287 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -135.89 87.5 2.32 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt 67.3 -168.01 0.2 Allowed 'General case' 0 C--O 1.241 0.64 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.239 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 mt 57.08 86.68 0.07 Allowed 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.592 1.157 . . . . 0.0 113.202 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -111.69 104.61 12.97 Favored 'General case' 0 C--N 1.271 -2.841 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.595 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -118.69 80.15 1.49 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.712 0.768 . . . . 0.0 111.677 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -167.03 105.07 0.56 Allowed 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 173.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -126.46 -166.6 1.6 Allowed 'General case' 0 C--N 1.279 -2.494 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.389 -173.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -81.48 -34.1 31.55 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -85.87 91.28 8.3 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-O 121.638 0.732 . . . . 0.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 . . . . . 0 C--N 1.294 -1.832 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 174.003 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -80.43 158.73 25.86 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.566 179.251 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 68.7 mtm -88.7 1.4 55.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.53 -44.1 34.4 Favored Glycine 0 C--N 1.308 -0.993 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 4.4 pt20 -66.36 -34.17 77.36 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.813 -0.693 . . . . 0.0 109.935 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.93 -44.12 77.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.025 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -36.09 82.91 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.675 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -60.1 -39.88 87.68 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.437 0.46 . . . . 0.0 109.826 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -72.4 -34.32 67.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.01 -49.84 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.35 -50.14 70.41 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.769 0.668 . . . . 0.0 110.392 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -53.77 -49.69 67.69 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.615 1.197 . . . . 0.0 111.513 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.73 -40.77 47.5 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.379 -174.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' ' 42' ' ' ILE . 33.4 ttpt -58.04 -48.92 78.63 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 124.304 1.041 . . . . 0.0 109.596 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' B' ' 18' ' ' ILE . 33.9 mttp -62.01 -39.59 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.45 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.08 -41.07 82.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.552 0.691 . . . . 0.0 111.057 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -68.67 -43.38 76.3 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.794 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 14' ' ' LYS . 97.4 mt -55.32 -41.31 61.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 123.564 0.54 . . . . 0.0 109.631 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -58.11 -38.54 76.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.456 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.46 -49.39 41.88 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.564 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.57 -37.27 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 CA-C-O 121.379 0.609 . . . . 0.0 110.285 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -61.55 -52.44 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.684 0.794 . . . . 0.0 112.492 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -65.18 -19.08 65.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.806 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB2' HD11 ' A' ' 6' ' ' LEU . 86.6 t60 -62.54 -37.1 84.8 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.77 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.61 -16.9 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.338 0 C-N-CA 119.457 -1.354 . . . . 0.0 112.433 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.26 132.04 42.81 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.563 ' O ' HG23 ' B' ' 31' ' ' VAL . 12.4 m-20 -71.8 168.13 18.49 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 112.95 -1.932 . . . . 0.0 107.436 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.464 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 24.6 t60 -62.14 -37.17 84.18 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.601 . . . . 0.0 109.537 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.293 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 35.1 mmtm -60.53 -42.24 96.09 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.087 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.5 t -64.71 -43.25 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.768 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.8 mt -62.51 -43.09 99.67 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.813 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.28 -44.42 68.43 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.314 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -64.38 -45.73 86.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.135 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.2 p -59.91 -46.19 90.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 11.1 ptm180 -72.17 -33.4 67.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.55 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.693 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 7.2 t70 -75.21 -37.33 61.17 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.665 0.745 . . . . 0.0 109.136 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.93 -42.58 89.9 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.423 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.96 -39.22 88.7 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.093 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.693 ' HG3' ' O ' ' B' ' 37' ' ' ASP . 1.7 pptp? -70.4 -31.73 69.07 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 120.863 0.363 . . . . 0.0 111.861 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.497 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.62 -42.93 95.19 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.487 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.9 mt -69.6 -56.48 11.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.912 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -51.54 -35.53 41.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.984 0.513 . . . . 0.0 111.742 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 -52.59 64.86 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.525 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -75.84 -30.97 59.13 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 85.6 mtp -65.42 -22.14 66.74 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 122.34 0.256 . . . . 0.0 111.034 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 75.02 5.22 4.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.55 1.167 . . . . 0.0 110.84 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' B' ' 46' ' ' MET . 30.3 m -84.17 144.26 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.114 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.426 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.02 36.97 3.44 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.94 78.78 1.17 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.749 1.262 . . . . 0.0 112.119 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' B' ' 51' ' ' LYS . 16.1 ptpt -87.34 16.89 4.83 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.229 177.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 m -85.98 -14.81 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.548 0 CA-C-N 113.707 -1.588 . . . . 0.0 108.78 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -75.69 97.47 3.83 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -140.56 160.15 40.63 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -83.58 86.37 7.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 122.096 0.95 . . . . 0.0 108.522 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.68 122.88 44.72 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.019 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -79.0 87.47 4.81 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.571 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -91.84 -0.82 57.54 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.976 -176.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -134.94 165.01 26.31 Favored 'General case' 0 N--CA 1.425 -1.702 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -68.37 -24.38 64.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.016 0.436 . . . . 0.0 111.839 -176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -153.62 146.29 24.22 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.302 -1.471 0 CA-C-O 119.579 -0.248 . . . . 0.0 110.977 -177.5 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 CA--C 1.498 -1.037 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 116.4 26.02 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 ptp -65.96 -28.04 68.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.42 -49.91 35.46 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.53 -28.93 70.28 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.147 0.579 . . . . 0.0 111.601 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.05 -46.41 67.93 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -27.94 66.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.69 -45.5 93.73 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.805 0.842 . . . . 0.0 109.111 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -64.26 -37.46 87.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.1 mt -59.48 -48.73 86.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.682 176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -55.68 -51.08 68.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 123.554 0.534 . . . . 0.0 110.627 176.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -55.85 -49.52 73.08 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 124.39 1.056 . . . . 0.0 110.374 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -68.53 -43.81 75.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.008 -175.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 ttpt -55.06 -48.11 73.94 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 124.363 1.065 . . . . 0.0 108.703 176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 18' ' ' ILE . 76.8 mttt -63.7 -41.15 98.16 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.408 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -58.26 -43.8 88.07 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.636 0.585 . . . . 0.0 109.726 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.05 -45.01 90.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.213 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LYS . 62.8 mt -58.78 -42.82 86.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -58.81 -38.22 78.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 110.302 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.3 mt -69.53 -49.24 56.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.898 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.8 m -66.47 -32.04 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.795 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.56 68.94 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 112.084 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -65.38 -19.04 65.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HB2' HD11 ' B' ' 6' ' ' LEU . 86.4 t60 -61.63 -29.34 69.99 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.512 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.09 2.41 0.23 Allowed Glycine 0 C--O 1.223 -0.584 0 C-N-CA 118.738 -1.696 . . . . 0.0 114.434 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -69.53 151.39 46.07 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 177.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.0 t70 -85.2 159.35 20.13 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 172.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.606 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 30.1 m80 -58.41 -27.82 64.65 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.2 t70 -60.93 -42.84 98.91 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.793 0.806 . . . . 0.0 109.499 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -72.06 -34.62 68.89 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.756 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 27' ' ' ASP . 49.1 t -66.77 -41.06 87.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 64.4 mt -64.11 -53.85 43.18 Favored 'General case' 0 C--O 1.205 -1.269 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.269 177.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 76.2 mt -59.81 -42.79 94.26 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.48 -52.03 66.19 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.418 0.449 . . . . 0.0 111.022 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.504 ' HB3' HD13 ' A' ' 18' ' ' ILE . 30.7 p -59.53 -37.03 77.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 40.0 mtp85 -72.02 -43.37 65.11 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 5.8 t70 -75.84 -28.51 58.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.417 0.627 . . . . 0.0 110.044 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.48 -44.01 83.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.578 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 37' ' ' ASP . 46.2 mtpt -54.7 -47.41 73.73 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.504 0.721 . . . . 0.0 111.528 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' B' ' 34' ' ' PHE . 2.2 tt -59.58 -48.0 83.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.411 HD12 ' HD3' ' A' ' 14' ' ' LYS . 67.2 mt -60.98 -54.03 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.557 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -53.62 -36.1 61.66 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.797 0.439 . . . . 0.0 111.397 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.43 -49.96 74.76 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.588 0.755 . . . . 0.0 111.297 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -77.92 -37.07 48.61 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.234 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' B' ' 21' ' ' VAL . 97.8 mmm -67.7 -25.17 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.196 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.0 t30 70.87 8.81 6.66 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.564 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 46' ' ' MET . 27.7 m -74.82 104.45 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-O 122.939 1.352 . . . . 0.0 111.566 -176.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -103.86 83.66 2.15 Favored 'General case' 0 C--N 1.258 -3.401 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -79.95 176.32 9.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.51 -171.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.24 11.09 26.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.614 0.721 . . . . 0.0 112.247 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.0 m -87.77 163.83 2.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.055 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -93.46 -176.5 4.12 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.634 -175.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 2.9 mmmp? -91.76 158.93 16.08 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-O 120.78 0.324 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -84.11 -176.85 6.46 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 42.4 mt-10 77.52 103.11 0.07 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.264 1.026 . . . . 0.0 110.666 -174.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -80.55 99.2 7.95 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.315 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -146.05 152.8 39.92 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.838 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -113.84 -30.39 6.76 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 m80 73.21 131.3 0.04 OUTLIER 'General case' 0 C--O 1.245 0.817 0 C-N-CA 125.105 1.362 . . . . 0.0 110.461 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -82.87 4.22 26.46 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 122.04 0.924 . . . . 0.0 109.396 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 N--CA 1.433 -1.311 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 176.067 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 CA--C 1.502 -0.883 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.45 106.05 14.88 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptp -134.11 8.37 3.74 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.426 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.0 -36.43 11.22 Favored Glycine 0 N--CA 1.43 -1.763 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.046 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 8.2 mm100 -83.25 -25.62 31.48 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 24' ' ' HIS . 3.0 tm? -63.36 -47.11 83.47 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 172.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -32.42 73.87 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.065 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.526 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 24.5 t-20 -58.43 -48.66 79.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.256 175.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 29.3 mtpp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.66 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.19 -50.91 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 123.633 0.583 . . . . 0.0 110.512 176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -57.71 -54.41 47.23 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.226 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.53 -41.79 77.36 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.691 0.62 . . . . 0.0 112.452 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -70.08 -47.41 62.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.578 ' HD3' HD12 ' B' ' 42' ' ' ILE . 28.1 ttpt -57.56 -43.9 84.84 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 123.706 0.803 . . . . 0.0 109.229 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.92 -39.27 93.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.724 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 42.0 mt-10 -55.22 -41.85 72.58 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.4 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -69.82 -45.89 66.85 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.866 -179.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.49 -40.29 81.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -65.57 -27.21 68.27 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.923 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 87.0 mt -74.05 -51.54 15.49 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 122.33 0.252 . . . . 0.0 111.204 176.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.5 m -63.03 -27.38 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 121.47 0.653 . . . . 0.0 110.805 176.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.29 -49.84 62.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.36 -7.54 32.15 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 19.3 t-80 -62.37 -46.89 86.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 170.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.7 42.55 0.05 OUTLIER Glycine 0 N--CA 1.422 -2.261 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.581 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.66 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 42.6 mt -85.48 132.65 34.17 Favored 'General case' 0 CA--C 1.489 -1.384 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.338 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.79 46.05 0.64 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 66.12 -53.63 0.4 Allowed 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 126.153 1.781 . . . . 0.0 113.59 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.09 -38.62 83.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.66 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 46.2 mmtm -61.28 -42.24 98.3 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.823 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.8 -42.81 93.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.01 -46.99 79.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.487 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.44 -39.15 81.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.828 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.572 ' CD1' HD22 ' A' ' 41' ' ' LEU . 85.7 t80 -63.68 -52.97 58.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.662 0.601 . . . . 0.0 111.295 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.8 p -57.86 -42.73 85.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.401 0.438 . . . . 0.0 111.971 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.78 -28.78 60.88 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 40' ' ' LYS . 11.8 t70 -81.83 -32.17 31.33 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.928 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.85 -38.52 91.41 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.9 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -45.63 93.38 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.068 174.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' B' ' 37' ' ' ASP . 48.0 mtpt -55.78 -49.51 72.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.609 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 56.5 tp -60.55 -43.11 97.57 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.696 0.623 . . . . 0.0 111.133 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.578 HD12 ' HD3' ' B' ' 14' ' ' LYS . 71.4 mt -64.76 -53.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.008 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.713 0.405 . . . . 0.0 110.615 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 39.5 ttmt -52.61 -39.75 62.0 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.774 1.23 . . . . 0.0 110.611 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 26' ' ' LEU . 26.4 m-85 -94.52 -12.53 27.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 33.1 mtp -87.91 8.99 23.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 0.0 109.837 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 55.8 t30 76.49 68.3 0.06 Allowed 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.591 1.556 . . . . 0.0 113.127 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.55 139.08 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -111.88 90.1 3.25 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 121.488 0.661 . . . . 0.0 110.294 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -92.07 162.35 14.4 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -7.13 56.56 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.637 0.732 . . . . 0.0 111.691 -174.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.89 -12.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.528 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -90.15 -17.08 28.28 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 51.34 76.64 0.16 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.482 -1.236 . . . . 0.0 110.829 -171.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.63 141.54 58.74 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.844 -174.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -104.72 99.51 9.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -136.18 -75.54 0.43 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.272 -0.971 . . . . 0.0 110.278 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 m80 67.23 -172.6 0.19 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.873 0.869 . . . . 0.0 109.225 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -90.21 -39.84 12.56 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . 0.328 14.1 p80 56.48 -25.67 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 127.635 2.374 . . . . 0.0 116.717 175.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -86.22 118.34 25.61 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.292 -1.924 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.595 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 C--O 1.248 1.009 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.62 118.87 5.14 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -177.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 ptp -64.01 -28.9 70.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 -48.28 63.25 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.6 mt-30 -59.0 -46.75 87.4 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' B' ' 24' ' ' HIS . 3.4 tm? -58.18 -49.1 78.23 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.985 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -63.95 -37.75 88.55 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -64.53 -38.59 91.55 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 66.9 mttm -62.4 -49.37 75.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -57.39 -49.65 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.228 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.07 -52.82 61.99 Favored 'General case' 0 CA--C 1.503 -0.831 0 O-C-N 123.494 0.496 . . . . 0.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.65 -45.84 90.81 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 123.865 0.728 . . . . 0.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -66.41 -46.64 75.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.957 0.408 . . . . 0.0 111.337 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.5 ttpt -57.77 -48.87 78.42 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.446 1.098 . . . . 0.0 109.177 177.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -63.08 -37.77 88.52 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.841 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.9 mt-10 -57.32 -45.15 84.54 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.349 0.595 . . . . 0.0 109.671 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.67 -43.02 81.2 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.713 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 76.4 mt -58.92 -42.43 85.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -61.13 -33.62 73.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.527 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 93.2 mt -73.15 -48.37 36.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.566 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.1 m -64.78 -31.9 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.029 175.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -61.82 -52.03 65.84 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.02 0.528 . . . . 0.0 111.272 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -63.54 -19.03 64.46 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.959 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.514 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.0 t-80 -57.1 -40.51 77.15 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.519 175.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.67 -3.92 0.21 Allowed Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 119.338 -1.411 . . . . 0.0 113.873 -177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -58.22 146.49 33.65 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.1 m-20 -77.67 164.21 25.5 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.557 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 44.7 t-80 -57.24 -39.78 76.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -57.1 -43.86 82.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.14 1.376 . . . . 0.0 110.758 176.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -66.76 -40.45 88.27 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.544 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.5 t -63.63 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 90.7 mt -62.46 -47.62 83.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.072 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 77.8 mt -67.42 -44.6 78.39 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -62.26 -50.28 72.33 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -58.67 -42.68 89.03 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -176.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -74.3 -39.05 63.15 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.916 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.27 -36.73 77.41 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 42' ' ' ILE . 20.5 tp -62.75 -49.75 73.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.253 175.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.09 -47.46 77.97 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 121.016 0.436 . . . . 0.0 110.165 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.2 -35.57 81.22 Favored 'General case' 0 N--CA 1.409 -2.483 0 C-N-CA 124.929 1.291 . . . . 0.0 112.267 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.19 -39.61 89.81 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.3 mt -67.42 -53.63 30.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.149 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -51.78 -35.55 44.34 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.365 1.066 . . . . 0.0 111.677 177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -64.08 -46.23 85.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.837 0.351 . . . . 0.0 110.706 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -76.66 -32.36 57.9 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.965 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 67.8 mtp -72.58 -32.92 66.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 69.15 0.28 2.76 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 126.254 1.822 . . . . 0.0 113.375 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.6 m -86.3 80.95 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-O 123.474 1.606 . . . . 0.0 112.36 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -96.03 -11.86 25.8 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-N 112.491 -2.141 . . . . 0.0 106.273 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 176.16 174.99 0.31 Allowed 'General case' 0 N--CA 1.418 -2.047 0 C-N-CA 129.406 3.083 . . . . 0.0 103.12 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 15.7 pttm -74.48 42.79 0.17 Allowed 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 125.817 1.647 . . . . 0.0 109.254 173.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 m -38.71 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 127.375 2.27 . . . . 0.0 115.819 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -130.88 -8.61 3.95 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.609 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.83 -172.19 3.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.14 144.97 54.78 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.895 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.66 -57.59 0.52 Allowed 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.03 -35.2 57.14 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.197 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -89.27 138.69 31.21 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -94.27 150.51 20.23 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -74.67 -26.63 59.98 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.351 0.596 . . . . 0.0 109.768 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -84.73 115.04 22.48 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.825 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 . . . . . 0 C--N 1.306 -1.32 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.61 177.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 C--O 1.243 0.743 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 60.79 -149.99 0.42 Allowed 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 109.459 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt 77.46 -18.96 0.46 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.987 1.315 . . . . 0.0 112.672 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.84 80.65 Favored Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -33.98 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.59 -45.61 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.954 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.0 mmmt -61.49 -36.57 80.85 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.315 175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -57.58 -44.58 85.45 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 123.691 0.619 . . . . 0.0 110.415 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -60.54 -47.07 87.81 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.2 -50.88 76.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.25 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 29.2 mm-40 -54.3 -50.78 66.53 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 123.76 0.662 . . . . 0.0 110.375 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.94 -49.05 79.32 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.296 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -38.19 80.87 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.143 0.497 . . . . 0.0 110.52 -176.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.491 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.1 ttpt -59.18 -48.71 80.6 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 124.882 1.273 . . . . 0.0 109.339 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 29.7 mtpp -65.62 -30.85 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.918 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 48.4 mt-10 -64.43 -42.63 95.92 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.411 ' C ' HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -68.47 -45.68 71.77 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.492 -179.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 14' ' ' LYS . 96.1 mt -53.8 -44.04 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 123.533 0.521 . . . . 0.0 110.163 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.99 -23.66 60.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.746 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 86.8 mt -73.13 -48.55 34.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.4 t -59.83 -35.97 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.507 0.67 . . . . 0.0 109.918 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.44 -51.99 65.31 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.474 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.76 -5.24 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.067 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.505 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.6 t-80 -64.86 -37.47 87.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.78 33.1 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.864 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 29.3 mt -91.37 150.68 21.17 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 121.557 0.694 . . . . 0.0 111.706 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.527 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 m-20 -77.49 161.54 27.85 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 104.948 -2.241 . . . . 0.0 104.948 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.636 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 63.9 m-70 -61.78 -29.45 70.15 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.932 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.484 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 9.1 m-20 -65.27 -42.85 92.8 Favored 'General case' 0 CA--C 1.506 -0.745 0 O-C-N 123.349 0.405 . . . . 0.0 110.485 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.674 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -58.08 -46.74 84.96 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.713 0.633 . . . . 0.0 109.597 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 27' ' ' ASP . 46.5 t -58.32 -44.31 88.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 123.752 0.821 . . . . 0.0 110.168 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 95.5 mt -61.35 -50.17 74.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 69.8 mt -63.67 -42.02 98.12 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.308 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -64.88 -52.88 54.17 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.001 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.2 p -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 11.9 ptm180 -77.69 -36.67 50.93 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.504 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.71 -40.5 76.24 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.5 -44.27 96.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.541 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.67 -41.7 91.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.702 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 26.7 mtpp -67.82 -46.96 70.39 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.99 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 43.4 tp -55.77 -42.14 75.05 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 122.743 0.417 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.724 ' O ' ' HG3' ' B' ' 46' ' ' MET . 60.9 mt -65.05 -60.01 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.403 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.74 -32.66 67.67 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.651 0.38 . . . . 0.0 111.667 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -58.57 -51.63 69.06 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.764 1.225 . . . . 0.0 109.755 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 26' ' ' LEU . 12.0 m-85 -74.39 -32.45 62.73 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.724 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 64.7 mtp -65.45 -28.9 69.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 63.94 47.73 3.36 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 122.744 1.259 . . . . 0.0 107.72 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 m -80.3 102.36 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-O 122.957 1.361 . . . . 0.0 112.034 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -114.08 24.77 11.71 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 113.214 -1.812 . . . . 0.0 106.431 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.462 ' OD1' HG22 ' B' ' 52' ' ' VAL . 8.4 t70 -84.98 145.1 27.9 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.551 -2.113 . . . . 0.0 108.57 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -113.66 15.44 18.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.462 HG22 ' OD1' ' B' ' 50' ' ' ASP . 18.7 m -111.85 162.67 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.853 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -164.94 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.78 147.91 39.13 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -118.0 85.54 2.36 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.781 2.032 . . . . 0.0 116.129 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -96.66 -178.81 4.38 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 122.872 0.469 . . . . 0.0 110.049 -174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -74.25 -27.53 60.8 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -89.47 158.95 17.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -119.7 163.85 16.8 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 121.551 -0.718 . . . . 0.0 111.964 -176.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 54.1 m80 70.39 -62.83 0.42 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.36 1.464 . . . . 0.0 110.539 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 . . . . . 0 C--N 1.313 -1.019 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 177.289 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.74 148.4 51.97 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.7 mtm -66.67 -24.11 66.23 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.02 -37.98 88.13 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -69.85 -37.16 76.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.824 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 8.2 mmmt -61.89 -37.6 85.19 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.396 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -63.06 -38.45 91.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.892 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -65.08 -39.99 94.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.111 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.49 -49.26 84.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.976 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 16.6 mm-40 -60.28 -43.63 96.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.72 -53.76 54.6 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 123.975 0.91 . . . . 0.0 110.732 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -67.92 -40.06 83.44 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.676 0.79 . . . . 0.0 111.115 -175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.1 ttpt -56.92 -47.75 79.86 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 124.089 0.956 . . . . 0.0 108.788 175.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.25 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.64 -45.25 85.72 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.563 0.697 . . . . 0.0 109.358 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -45.77 73.38 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.313 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.6 mt -55.44 -40.55 58.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 123.506 0.504 . . . . 0.0 110.026 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 54.3 mt-30 -64.38 -39.3 93.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.57 -47.84 74.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 26' ' ' LEU . 76.9 t -58.49 -44.72 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.646 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -58.22 -49.5 76.84 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 123.648 0.779 . . . . 0.0 111.933 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 15.6 ptm180 -67.29 -17.93 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 49.6 t-80 -59.75 -31.16 69.39 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 120.567 0.222 . . . . 0.0 110.625 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.08 -12.16 0.51 Allowed Glycine 0 C--O 1.239 0.441 0 C-N-CA 119.771 -1.204 . . . . 0.0 113.753 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -52.71 149.26 6.3 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.4 m-20 -88.24 179.75 6.3 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.494 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.488 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 80.2 m-70 -67.01 -46.0 75.83 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.438 -176.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.38 -37.42 83.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.233 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.42 -43.44 98.86 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.737 177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 27' ' ' ASP . 57.4 t -65.48 -38.84 83.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.1 mt -62.92 -48.92 76.83 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.263 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.36 -49.04 77.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 79.3 t80 -57.35 -52.41 65.46 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.454 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.4 p -61.28 -43.0 99.59 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -74.47 -34.16 63.06 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 28.5 t70 -69.65 -35.68 75.4 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-O 122.147 0.975 . . . . 0.0 108.621 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.08 -46.04 45.46 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.069 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.84 -40.44 80.11 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.993 0.425 . . . . 0.0 110.669 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 16.8 pttm -67.47 -36.73 81.72 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.141 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 tp -68.64 -35.55 77.44 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.946 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' ' HG3' ' A' ' 46' ' ' MET . 64.0 mt -70.79 -57.36 7.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.525 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -58.03 -32.02 67.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.179 0.592 . . . . 0.0 111.524 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -60.19 -50.02 75.32 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.247 0.619 . . . . 0.0 110.53 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.24 -33.47 59.18 Favored 'General case' 0 CA--C 1.487 -1.472 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.694 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.2 mtp -64.55 -28.45 69.65 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t30 69.38 22.16 6.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 122.892 1.329 . . . . 0.0 110.395 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -122.16 160.06 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -123.71 16.4 9.49 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 121.699 0.762 . . . . 0.0 109.199 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.06 78.42 3.6 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.994 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -101.48 -7.13 23.12 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 122.742 1.258 . . . . 0.0 108.35 175.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 m -96.55 69.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.891 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -123.06 147.99 46.09 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.379 -1.282 . . . . 0.0 107.693 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.263 17.2 ttmm 59.83 74.65 0.44 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.802 1.287 . . . . 0.0 113.274 -175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -100.69 114.99 29.18 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 171.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -77.83 134.7 37.94 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -84.57 78.65 9.8 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -81.89 89.04 6.33 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.45 -1.25 . . . . 0.0 112.728 -172.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.82 -177.61 3.36 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -78.17 92.31 4.42 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.613 -0.835 . . . . 0.0 113.169 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -96.15 -23.67 16.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 170.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.8 m80 . . . . . 0 N--CA 1.431 -1.388 0 CA-C-N 112.908 -1.951 . . . . 0.0 105.893 172.095 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm . . . . . 0 C--O 1.243 0.718 0 CA-C-O 122.447 1.117 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.69 128.83 42.9 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.02 -172.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt -74.37 -23.06 58.94 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.793 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.52 94.14 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 2.5 mp0 -75.36 -28.27 59.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.895 177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.61 -47.89 79.56 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -66.73 -29.3 69.24 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.036 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.07 -33.69 72.24 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.08 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 60.0 mttp -69.29 -35.53 76.1 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 174.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.7 mt -61.37 -48.7 87.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.558 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 15.2 mm-40 -57.09 -48.06 79.5 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.689 0.618 . . . . 0.0 109.576 175.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.7 -52.18 60.87 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.25 1.02 . . . . 0.0 111.308 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 0.5 OUTLIER -70.98 -39.53 72.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.797 -175.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -55.27 -49.94 70.78 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 108.635 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -64.58 -36.42 84.18 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.326 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -62.79 -35.99 81.66 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 121.191 0.519 . . . . 0.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -43.63 54.62 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.767 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 72.5 mt -57.8 -41.91 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -57.01 -41.19 78.05 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -52.66 52.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.066 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.402 HG23 HD12 ' B' ' 26' ' ' LEU . 3.5 m -63.04 -32.34 55.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 120.006 -0.678 . . . . 0.0 111.04 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.94 -45.21 71.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.415 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.89 -6.58 48.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.421 . . . . 0.0 111.546 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -75.61 -20.95 58.2 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.55 38.85 0.11 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 64.7 mt -100.13 138.32 37.36 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.858 0.837 . . . . 0.0 111.661 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.537 ' O ' HG23 ' B' ' 31' ' ' VAL . 19.8 t70 -72.54 161.16 31.15 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-N 113.578 -1.646 . . . . 0.0 106.75 173.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.667 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 39.0 m80 -49.83 -36.96 28.58 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.592 0.558 . . . . 0.0 110.408 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.35 -47.67 85.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.694 0.797 . . . . 0.0 111.199 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 42.5 mmtm -65.76 -39.28 90.89 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.942 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 27' ' ' ASP . 21.4 t -64.34 -43.16 97.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.0 mt -62.95 -50.16 71.91 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.273 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.2 -42.32 96.68 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.366 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -63.81 -51.33 65.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.31 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 39.1 p -60.04 -42.06 93.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -68.02 -38.98 83.22 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.2 -43.34 61.5 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -57.52 -45.24 85.22 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.89 0.876 . . . . 0.0 111.04 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.88 -40.61 96.01 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.954 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.59 -30.49 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.703 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 5.1 tt -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.507 ' O ' ' HG2' ' B' ' 46' ' ' MET . 68.2 mt -66.65 -45.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.622 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -57.07 -36.0 70.02 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 120.572 0.225 . . . . 0.0 111.352 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' B' ' 45' ' ' PHE . 37.0 ttmt -55.7 -48.94 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.911 0.884 . . . . 0.0 109.958 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.51 ' CE2' ' HD2' ' B' ' 44' ' ' LYS . 75.4 m-85 -86.79 -20.67 27.25 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 11.9 mmt -63.81 -25.17 68.06 Favored 'General case' 0 C--O 1.247 0.943 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.453 ' OD1' ' HE2' ' B' ' 49' ' ' LYS . 8.8 t30 66.06 76.79 0.31 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 t -92.26 100.01 10.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.619 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.453 ' HE2' ' OD1' ' B' ' 47' ' ' ASN . 54.5 mtmt -136.62 32.54 2.76 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.029 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 64.27 109.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.935 2.094 . . . . 0.0 112.198 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -122.21 22.54 10.13 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.832 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.26 138.55 19.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.515 0.674 . . . . 0.0 111.338 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -115.57 149.86 37.55 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.664 ' HE2' ' HA ' ' B' ' 54' ' ' LYS . 4.4 mmpt? -78.72 92.5 4.79 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 122.352 1.072 . . . . 0.0 111.845 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.64 119.42 36.18 Favored 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.782 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.95 135.39 47.47 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 106.681 -1.599 . . . . 0.0 106.681 175.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -105.68 146.32 29.91 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.669 -170.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 57.5 m80 79.48 -46.47 0.36 Allowed 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 125.582 1.553 . . . . 0.0 109.025 -172.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 4.1 t60 71.07 89.0 0.1 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 125.786 1.635 . . . . 0.0 110.545 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -137.29 156.65 48.01 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.282 -2.33 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.514 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.83 122.15 6.16 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -57.86 -36.37 72.24 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -50.67 39.83 Favored Glycine 0 CA--C 1.496 -1.12 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.64 -44.29 93.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.571 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 24' ' ' HIS . 2.9 tm? -58.17 -50.79 72.28 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 124.094 0.871 . . . . 0.0 110.59 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mmmp? -68.55 -33.7 74.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 123.588 0.555 . . . . 0.0 109.766 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.0 -50.11 75.32 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.055 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.533 HG12 ' HB3' ' B' ' 20' ' ' LEU . 73.4 mt -55.18 -48.1 76.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 123.905 0.753 . . . . 0.0 111.16 177.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 12.6 mm-40 -60.99 -49.75 76.16 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.336 0.397 . . . . 0.0 110.731 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.9 t30 -59.2 -46.16 89.17 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -66.0 -44.91 83.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.885 0.474 . . . . 0.0 110.552 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.2 ttpt -55.03 -50.73 68.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.471 1.109 . . . . 0.0 108.256 175.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' ILE . 8.4 mtpm? -65.17 -34.15 77.7 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.434 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 43.6 mt-10 -61.71 -42.75 99.36 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -44.26 77.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.678 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 73.8 mt -57.59 -40.97 78.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.944 0.402 . . . . 0.0 110.008 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.71 -33.45 74.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.995 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 10' ' ' ILE . 96.1 mt -73.78 -49.56 24.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.717 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 10.8 m -62.99 -31.24 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.574 -0.85 . . . . 0.0 111.334 175.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.3 -48.92 76.08 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -69.43 -18.73 63.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.695 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 56.3 t-80 -56.57 -40.99 76.15 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.0 46.52 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.401 -0.905 . . . . 0.0 112.682 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 23.2 mt -94.07 152.93 18.43 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.364 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.12 158.06 36.04 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.454 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 51.8 t-80 -59.0 -38.56 79.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 118.524 0.602 . . . . 0.0 110.04 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.75 -35.16 79.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.5 mmtp -63.81 -45.66 88.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.496 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.55 -42.68 81.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 124.026 0.828 . . . . 0.0 109.853 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 71.5 mt -66.97 -52.3 44.49 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -41.09 97.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.567 0.222 . . . . 0.0 111.377 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 77.1 t80 -61.59 -51.47 68.42 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.382 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.485 ' HB3' HD13 ' A' ' 18' ' ' ILE . 22.3 p -61.44 -41.29 96.96 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 46.6 mtp180 -63.72 -42.28 97.95 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 21.3 t0 -73.73 -44.63 55.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.988 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 6.7 tt -62.02 -38.28 88.07 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.97 -37.23 79.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.213 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.5 pttm -74.02 -34.26 64.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.566 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.27 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 46' ' ' MET . 56.8 mt -68.37 -57.11 10.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.304 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -55.57 -34.35 64.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.133 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -57.84 -49.92 75.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.363 0.602 . . . . 0.0 109.823 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -76.42 -33.92 58.8 Favored 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 59.5 mtp -62.7 -32.08 73.11 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.476 0.485 . . . . 0.0 109.998 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 75.32 -3.04 2.68 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.046 1.338 . . . . 0.0 111.665 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.05 140.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -115.32 91.04 3.48 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.983 -2.599 . . . . 0.0 103.983 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.84 151.62 11.13 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 113.405 -1.725 . . . . 0.0 113.962 -167.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.7 pttm -70.21 44.15 0.07 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 127.438 2.295 . . . . 0.0 112.232 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.7 m -81.51 70.09 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 CA-C-O 122.403 1.097 . . . . 0.0 110.699 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -91.01 -157.69 0.51 Allowed 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.244 -1.344 . . . . 0.0 108.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.29 76.91 1.0 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.874 0.845 . . . . 0.0 110.892 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -94.17 142.53 27.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -82.38 57.94 3.88 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 122.32 1.057 . . . . 0.0 110.491 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.22 -17.33 19.92 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.234 -1.348 . . . . 0.0 107.752 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 60' ' ' HIS . 12.3 t-80 -101.57 129.85 47.75 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -87.67 -3.31 58.97 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 76.3 m-70 -99.46 149.29 23.35 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -78.61 149.92 32.83 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.092 0.472 . . . . 0.0 111.23 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 CA--C 1.51 -0.587 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -101.66 159.74 15.06 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.225 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.8 ptp -77.07 -22.22 53.18 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.84 -36.85 93.39 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.45 -44.86 81.62 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.06 -45.97 91.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.93 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.43 81.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.73 -37.49 87.54 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.606 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.8 -43.03 89.91 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 20' ' ' LEU . 62.6 mt -59.12 -49.09 84.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.591 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -57.23 -50.19 73.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.625 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.49 -45.14 89.31 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.547 0.529 . . . . 0.0 111.967 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.412 ' HD2' ' HB2' ' A' ' 16' ' ' GLU . 15.1 tppt? -66.86 -43.57 83.27 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.93 0.395 . . . . 0.0 110.468 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.569 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -56.43 -48.86 76.13 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 124.295 1.038 . . . . 0.0 108.732 174.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' B' ' 18' ' ' ILE . 84.6 mttt -62.38 -38.85 91.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.539 0.736 . . . . 0.0 112.131 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.68 -44.59 90.26 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.407 0.622 . . . . 0.0 109.658 172.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -40.96 95.22 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.106 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -60.49 -40.64 84.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 97.5 mt-30 -58.66 -41.25 85.68 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.293 0.568 . . . . 0.0 109.975 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 10' ' ' ILE . 4.8 mp -63.65 -52.67 59.7 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.363 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.7 m -66.36 -27.65 41.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.327 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.36 62.91 Favored 'General case' 0 C--O 1.244 0.811 0 O-C-N 122.156 -0.34 . . . . 0.0 111.571 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -72.59 -14.2 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.088 0.47 . . . . 0.0 109.963 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.515 ' HB2' HD11 ' A' ' 6' ' ' LEU . 79.7 t60 -63.16 -38.15 90.05 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 172.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.08 49.65 0.08 OUTLIER Glycine 0 N--CA 1.428 -1.891 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.441 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.1 mt -88.91 152.35 21.78 Favored 'General case' 0 CA--C 1.486 -1.49 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.155 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.404 ' O ' HG23 ' B' ' 31' ' ' VAL . 9.9 m-20 -71.35 166.52 21.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.6 t-80 -61.32 -41.01 96.31 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.486 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 14.0 m-20 -68.91 -36.6 78.22 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.22 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.6 mmtm -57.19 -47.38 81.41 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.095 0.247 . . . . 0.0 110.552 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' ASP . 35.1 t -60.39 -40.94 85.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 123.543 0.527 . . . . 0.0 110.233 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.0 mt -66.39 -53.28 37.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.0 mt -62.85 -42.93 99.94 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.403 ' CE2' HD22 ' B' ' 38' ' ' LEU . 78.6 t80 -62.76 -53.59 51.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.893 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 56.4 p -57.96 -39.14 77.39 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -75.34 -38.72 60.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LYS . 16.7 t70 -74.52 -32.19 62.4 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 42' ' ' ILE . 31.0 tp -62.26 -51.79 66.33 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.496 173.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.74 -45.41 78.03 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.352 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 37' ' ' ASP . 73.6 tttt -58.22 -51.82 68.16 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 125.962 1.705 . . . . 0.0 111.161 177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.14 -39.96 80.12 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.315 0.646 . . . . 0.0 110.505 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.2 mt -68.64 -54.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.163 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -54.09 -30.92 50.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.464 0.706 . . . . 0.0 112.333 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -49.1 76.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.562 0.696 . . . . 0.0 110.096 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.85 -27.44 57.82 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 50.3 mtp -81.1 -40.44 24.08 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.626 0.727 . . . . 0.0 110.467 -177.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -130.86 -74.85 0.53 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.953 -167.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 m -86.64 88.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.019 0 CA-C-O 122.523 1.154 . . . . 0.0 113.744 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -89.7 7.21 37.85 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 113.386 -1.734 . . . . 0.0 110.163 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.48 136.18 39.37 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.731 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -89.53 26.03 1.82 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-O 121.832 0.825 . . . . 0.0 109.69 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.53 95.63 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-O 122.472 1.13 . . . . 0.0 112.207 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -135.28 15.21 3.48 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.289 -1.323 . . . . 0.0 107.723 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -141.48 129.31 21.75 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.29 107.78 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.558 1.161 . . . . 0.0 113.007 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -117.5 108.53 15.62 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.933 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 59.1 m80 59.74 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.294 1.037 . . . . 0.0 112.714 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -114.38 -41.36 3.48 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 t60 68.92 -82.98 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.201 1.4 . . . . 0.0 111.068 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 55.72 -88.15 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.865 0.866 . . . . 0.0 112.071 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -100.91 136.37 40.87 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 78.6 t60 . . . . . 0 C--N 1.291 -1.956 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -177.795 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 CA--C 1.495 -1.166 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 68.07 179.64 0.23 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 123.839 0.712 . . . . 0.0 111.639 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.4 mtt -80.99 -18.61 46.28 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.578 -176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.71 -51.83 33.32 Favored Glycine 0 C--N 1.31 -0.869 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -70.07 -28.05 65.12 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.52 -46.22 76.93 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -35.31 80.63 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 176.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -59.96 -38.15 81.64 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.974 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.11 -35.72 56.15 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.487 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.35 -50.29 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -56.03 -48.11 76.6 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.5 t-20 -56.23 -53.32 58.57 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -69.67 -35.19 74.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.9 ttpt -57.99 -49.19 77.69 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 124.424 1.089 . . . . 0.0 109.093 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.32 -34.81 78.15 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.75 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 12' ' ' ASN . 15.4 mm-40 -55.33 -44.31 75.76 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.745 0.783 . . . . 0.0 108.923 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -42.96 67.23 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.2 mt -59.93 -43.28 91.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -63.16 -33.24 75.05 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' B' ' 10' ' ' ILE . 4.7 mp -67.06 -54.74 18.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.778 175.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 8.8 m -61.93 -32.01 52.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.782 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.11 -48.65 79.2 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 122.944 0.498 . . . . 0.0 111.346 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.79 -18.64 64.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 22.5 t-80 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.328 0.392 . . . . 0.0 110.467 173.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.01 -9.29 0.44 Allowed Glycine 0 N--CA 1.436 -1.333 0 C-N-CA 119.39 -1.386 . . . . 0.0 113.071 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -55.35 141.1 37.37 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.1 m-20 -76.77 163.59 26.66 Favored 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.494 175.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 79.3 m80 -58.33 -39.4 79.35 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 123.627 0.58 . . . . 0.0 110.558 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.52 -35.22 79.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.444 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.76 -38.62 83.68 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.116 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 27' ' ' ASP . 94.7 t -63.92 -39.48 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.878 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.7 mt -60.09 -47.66 84.94 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 176.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.13 -46.74 82.76 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.6 -48.98 75.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.487 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 p -60.66 -40.26 91.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -74.16 -40.05 62.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.479 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.84 -39.09 90.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.891 0.853 . . . . 0.0 108.807 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.01 -43.24 83.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.711 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.1 -42.12 97.93 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.939 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.88 -40.71 95.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.236 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 39.3 tp -61.94 -41.63 98.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.675 ' O ' ' HG3' ' A' ' 46' ' ' MET . 67.6 mt -65.85 -56.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.871 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -52.87 -34.42 54.37 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.714 0.806 . . . . 0.0 112.361 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.91 -49.62 76.13 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.481 0.712 . . . . 0.0 110.578 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.0 m-85 -80.96 -19.32 44.39 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 77.1 mtp -77.16 -18.23 57.99 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.024 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.0 t30 71.28 6.73 5.89 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.55 1.14 . . . . 0.0 110.342 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' A' ' 46' ' ' MET . 33.5 m -82.66 122.4 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.7 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -105.82 80.18 1.51 Allowed 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 122.2 1.0 . . . . 0.0 109.472 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 t70 64.13 -174.46 0.17 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.474 -2.148 . . . . 0.0 109.49 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -105.56 -4.23 21.43 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-O 122.179 0.99 . . . . 0.0 109.631 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.99 73.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 CA-C-N 114.125 -1.398 . . . . 0.0 111.217 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 179.82 149.55 0.32 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -91.69 86.73 6.06 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.95 103.19 4.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.312 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 65.07 -77.84 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.308 1.043 . . . . 0.0 111.648 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -165.94 132.4 2.62 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -122.38 147.65 46.03 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -68.1 144.75 54.91 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.305 0.574 . . . . 0.0 112.454 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -93.86 -52.0 4.63 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -149.93 121.17 7.81 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -178.792 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 CA--C 1.5 -0.972 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.58 96.59 10.76 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 121.078 0.466 . . . . 0.0 110.566 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.3 mtt -108.33 -1.23 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.127 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.89 -50.58 4.57 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -64.0 -27.23 68.98 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 120.898 0.38 . . . . 0.0 110.19 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.21 -48.36 82.04 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.155 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -33.56 71.13 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -61.22 -44.82 96.67 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.02 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -43.84 91.45 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.107 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 20' ' ' LEU . 66.9 mt -48.89 -54.22 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.072 0.549 . . . . 0.0 112.196 173.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.36 -44.64 92.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.191 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.96 -47.11 86.29 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.247 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -70.97 -40.51 71.89 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 123.827 0.851 . . . . 0.0 110.539 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.557 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -52.55 -51.6 58.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.702 1.201 . . . . 0.0 108.738 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' B' ' 18' ' ' ILE . 58.8 mtpt -66.22 -34.78 78.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.661 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.88 -42.08 98.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.459 0.647 . . . . 0.0 109.776 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.7 OUTLIER -70.42 -42.86 71.03 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.298 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.66 -42.24 59.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 109.665 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.24 -24.81 64.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.321 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.47 -47.09 18.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 20.4 t -61.66 -36.29 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 121.302 0.572 . . . . 0.0 109.724 174.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.583 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -62.97 -48.27 79.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.199 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -72.46 -4.88 32.99 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.873 0.368 . . . . 0.0 111.864 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 24.3 t-80 -68.63 -27.01 65.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.966 174.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.07 2.26 1.21 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 119.65 -1.262 . . . . 0.0 113.014 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -61.23 139.25 58.18 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.536 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 16.3 m-20 -74.03 171.69 13.03 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.91 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.476 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 14.9 p-80 -63.06 -42.68 99.75 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.071 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 20.5 m-20 -60.63 -39.42 88.16 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.584 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.536 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 33.9 mmtm -56.24 -47.45 78.47 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.551 0.532 . . . . 0.0 110.017 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 27' ' ' ASP . 36.1 t -63.02 -42.22 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.79 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 80.8 mt -63.4 -46.09 88.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.8 mt -66.12 -45.54 80.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.494 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.413 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 89.0 t80 -63.6 -50.31 69.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.245 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 49.6 p -60.46 -36.97 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 8.9 ptm180 -75.63 -37.69 59.52 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.53 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.03 -30.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.837 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.5 tp -65.82 -42.91 90.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.933 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.91 -41.42 99.45 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -57.97 -48.41 80.05 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.208 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 29.1 tp -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.379 0.671 . . . . 0.0 111.806 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.11 -48.66 84.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.997 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.26 -28.94 70.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.7 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' B' ' 48' ' ' VAL . 37.7 ttmt -60.04 -27.51 66.99 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.464 1.106 . . . . 0.0 110.293 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD21 ' A' ' 26' ' ' LEU . 44.3 m-85 -111.34 -26.16 9.28 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.09 -29.9 24.49 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.362 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -123.28 -32.81 3.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 122.048 0.927 . . . . 0.0 111.751 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' B' ' 44' ' ' LYS . 49.5 t -88.25 108.59 18.83 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.477 0 CA-C-O 122.918 1.342 . . . . 0.0 112.451 -170.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -166.29 93.86 0.52 Allowed 'General case' 1 N--CA 1.376 -4.163 0 CA-C-N 111.779 -2.464 . . . . 0.0 105.043 169.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -33.46 107.43 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.412 1.485 . . . . 0.0 114.132 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -87.84 1.18 54.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.524 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 m -85.53 117.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.678 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 62.6 m80 65.87 15.63 10.14 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.35 1.06 . . . . 0.0 111.013 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -78.44 145.19 35.21 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.767 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -75.37 101.28 4.7 Favored 'General case' 0 N--CA 1.431 -1.391 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -110.1 101.62 10.39 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -83.71 114.18 21.4 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.205 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -118.58 85.02 2.28 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -92.42 -21.77 20.01 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.738 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -164.92 -167.53 1.24 Allowed 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -80.88 98.75 8.0 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 . . . . . 0 C--N 1.309 -1.167 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.281 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.456 ' OE1' ' HG3' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -63.17 118.8 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.436 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 27.6 ptm -76.61 -23.42 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -171.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.11 -50.82 26.18 Favored Glycine 0 CA--C 1.502 -0.768 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.586 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 20.1 mt-30 -71.11 -17.91 62.55 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 120.991 0.424 . . . . 0.0 111.019 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 1.8 tm? -75.17 -44.66 45.38 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -31.32 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 21.1 t-20 -58.39 -40.52 82.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.632 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 43.5 mmtm -76.0 -34.2 59.72 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.14 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.44 -51.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 18.9 mm-40 -58.32 -48.74 79.57 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.714 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.47 -52.65 62.94 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.077 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 2.0 tppp? -69.79 -35.91 75.26 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -175.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 42' ' ' ILE . 35.8 ttpt -57.97 -46.74 84.67 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.007 0.923 . . . . 0.0 109.256 175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 8.8 mtpm? -68.46 -35.67 77.91 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 mt-10 -57.17 -43.43 82.58 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -68.01 -44.54 76.31 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.694 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -58.92 -42.56 86.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.57 -33.4 73.8 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.354 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 91.6 mt -67.85 -52.07 41.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.424 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 3.5 m -62.64 -32.01 54.03 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.138 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.927 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.19 -50.69 63.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.881 0.472 . . . . 0.0 111.449 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 12.7 ptm180 -61.94 -18.5 60.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.953 0.901 . . . . 0.0 111.607 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 21.6 t-80 -54.36 -39.27 66.98 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 172.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.65 13.21 0.38 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.948 -1.12 . . . . 0.0 114.22 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.6 mp -62.67 149.84 42.53 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 m-20 -69.43 157.44 37.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 41.1 m80 -62.35 -37.49 85.84 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.071 0.462 . . . . 0.0 110.754 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.7 t70 -62.9 -39.54 94.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.503 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 31.9 mmtp -62.39 -41.2 98.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.711 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.9 t -63.14 -41.66 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 89.8 mt -64.89 -47.82 76.45 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.715 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 89.2 mt -60.38 -47.29 86.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.817 0.341 . . . . 0.0 110.804 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -62.14 -49.94 73.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.219 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.2 p -60.23 -41.83 93.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.95 -35.2 64.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.539 -0.464 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.13 -33.55 63.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.934 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.923 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.29 -46.81 88.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.24 -49.79 71.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.324 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 54.3 tp -58.26 -47.16 84.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 123.375 0.67 . . . . 0.0 111.413 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.715 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.93 -55.32 22.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.835 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -54.7 -33.26 60.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.576 0.35 . . . . 0.0 111.861 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 38.6 ttmt -57.99 -42.66 85.61 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.03 0.932 . . . . 0.0 110.086 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.53 -31.1 22.9 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.107 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 48.2 mtp -74.17 -38.92 63.54 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 62.73 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.483 -174.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.2 169.42 21.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -120.98 0.72 10.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.871 -1.132 . . . . 0.0 113.708 -172.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.89 101.87 8.38 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 122.229 1.014 . . . . 0.0 111.063 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -137.77 21.22 2.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.606 -1.179 . . . . 0.0 107.873 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.2 149.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.326 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -84.2 -34.89 23.84 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -98.14 110.38 22.97 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 114.264 -1.335 . . . . 0.0 107.429 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.6 145.2 45.61 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.946 0.403 . . . . 0.0 111.637 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -106.93 23.78 13.83 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.058 0.456 . . . . 0.0 111.708 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -95.41 149.47 21.35 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 70.91 83.24 0.15 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.462 1.101 . . . . 0.0 110.159 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -147.25 13.61 1.1 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.89 0.852 . . . . 0.0 109.579 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -79.13 95.93 5.71 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.962 0.887 . . . . 0.0 111.034 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -96.22 24.63 5.53 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.319 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.308 -1.204 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.065 -179.157 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 CA--C 1.499 -0.998 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.53 64.38 4.98 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 122.387 1.089 . . . . 0.0 109.97 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -65.35 -33.92 77.11 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 112.989 -1.914 . . . . 0.0 112.434 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.35 -48.04 66.59 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 121.204 -0.522 . . . . 0.0 111.83 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 48.9 mt-30 -71.57 -36.36 70.89 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.055 0.455 . . . . 0.0 110.909 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.09 -46.43 84.27 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.939 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -28.02 66.95 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 40.5 t-20 -63.68 -43.49 96.5 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.85 -39.7 93.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.966 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.79 -51.94 66.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.518 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -54.19 -48.39 71.03 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.58 0.55 . . . . 0.0 110.368 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -61.45 -49.39 77.0 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.535 ' HE2' ' HD2' ' A' ' 13' ' ' LYS . 1.4 tpmt? -64.99 -41.34 95.49 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.553 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.7 ttpt -53.7 -53.15 56.13 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 124.975 1.31 . . . . 0.0 109.048 176.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.01 -38.06 89.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.293 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 45.5 mt-10 -61.38 -41.19 96.71 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 110.708 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.41 HD22 ' O ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -67.28 -45.42 76.63 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 178.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.7 mt -57.18 -42.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 O-C-N 123.569 0.543 . . . . 0.0 109.705 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.52 -32.01 69.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.885 0.474 . . . . 0.0 111.563 177.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' B' ' 23' ' ' ARG . 92.1 mt -79.09 -50.7 10.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.823 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.19 -27.95 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 C-N-CA 120.089 -0.644 . . . . 0.0 112.018 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -64.74 -46.3 82.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.995 0.426 . . . . 0.0 111.104 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 20' ' ' LEU . 19.7 ptp180 -73.84 -11.51 60.39 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.555 -177.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.95 -33.31 75.52 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.661 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.22 -18.88 0.23 Allowed Glycine 0 N--CA 1.434 -1.485 0 C-N-CA 119.4 -1.381 . . . . 0.0 112.69 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.582 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.4 mp -50.16 124.37 10.13 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.569 ' O ' HG23 ' B' ' 31' ' ' VAL . 17.0 t70 -73.76 168.59 19.08 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.058 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.65 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 61.1 m80 -57.53 -32.7 67.33 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.71 -36.05 77.96 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 27' ' ' ASP . 34.4 mmtm -67.21 -44.71 78.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 114.418 -1.264 . . . . 0.0 109.963 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 27' ' ' ASP . 27.3 t -62.65 -40.8 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 123.631 0.582 . . . . 0.0 110.032 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.0 mt -62.37 -57.06 12.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.14 -42.63 95.26 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.022 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -63.85 -49.51 72.51 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.4 ' HB3' HD13 ' B' ' 18' ' ' ILE . 37.0 p -62.12 -36.51 81.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.769 0.319 . . . . 0.0 111.441 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.5 mtt180 -63.5 -52.37 61.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.679 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.05 -32.44 63.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.174 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.93 -42.91 97.22 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.28 -39.69 95.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.505 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -61.46 -48.65 80.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.173 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -57.81 -47.03 83.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.527 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.486 ' O ' ' HG3' ' B' ' 46' ' ' MET . 71.8 mt -61.52 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.061 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -53.29 -35.94 60.63 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 21.0 ttmm -57.19 -55.53 33.5 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 30.5 m-85 -78.3 -21.35 49.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 17.6 mtp -80.33 2.11 26.09 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.368 177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 60.89 30.49 19.67 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.694 1.197 . . . . 0.0 111.349 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' B' ' 46' ' ' MET . 39.1 t -84.23 84.93 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.742 0 CA-C-O 122.53 1.157 . . . . 0.0 108.118 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -136.41 8.15 3.11 Favored 'General case' 0 C--N 1.255 -3.541 0 CA-C-N 112.895 -1.957 . . . . 0.0 107.998 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -127.84 101.19 6.24 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 114.632 -1.167 . . . . 0.0 108.154 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -119.34 15.68 13.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.911 0.862 . . . . 0.0 109.135 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.14 176.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.547 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -75.87 131.34 39.63 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -72.55 106.44 4.61 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.541 0.686 . . . . 0.0 112.414 -175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -116.44 -177.14 3.11 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.82 103.6 9.83 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.212 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -76.79 -27.92 55.44 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -92.81 87.69 5.94 Favored 'General case' 0 N--CA 1.425 -1.71 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 170.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -82.75 82.54 8.04 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 122.163 0.982 . . . . 0.0 111.412 -173.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 t60 179.12 135.6 0.09 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -61.56 -60.19 4.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 118.543 0.611 . . . . 0.0 111.461 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 C--N 1.309 -1.191 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.582 176.89 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -76.34 119.02 19.65 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.14 1.376 . . . . 0.0 108.762 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptm -87.41 -26.67 23.18 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.457 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.01 -45.25 57.81 Favored Glycine 0 C--N 1.318 -0.438 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.5 -31.97 73.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.165 0.507 . . . . 0.0 109.988 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.46 -44.02 88.51 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.5 mmmt -63.56 -32.44 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.049 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.31 -43.36 91.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -62.33 -45.27 93.99 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.552 176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' B' ' 20' ' ' LEU . 62.0 mt -55.62 -48.33 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 122.831 0.452 . . . . 0.0 111.749 174.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 48.4 mm-40 -57.26 -48.31 79.18 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 120.723 0.297 . . . . 0.0 110.563 177.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -60.86 -45.48 94.38 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.495 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 13.6 tppt? -64.48 -45.16 88.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.109 0.481 . . . . 0.0 110.851 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' O ' HG13 ' A' ' 18' ' ' ILE . 39.1 ttpt -56.3 -49.01 75.5 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 124.518 1.127 . . . . 0.0 108.561 176.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 41.6 mttm -63.54 -42.04 98.43 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.926 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' HD22 ' A' ' 20' ' ' LEU . 39.1 mt-10 -55.33 -44.72 76.16 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -65.96 -45.7 80.79 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.049 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 14' ' ' LYS . 69.4 mt -56.64 -39.09 60.8 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.715 0 O-C-N 123.694 0.621 . . . . 0.0 109.458 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 97.8 mt-30 -56.66 -43.98 80.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.189 0.306 . . . . 0.0 111.609 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD22 ' O ' ' A' ' 16' ' ' GLU . 1.8 mm? -67.22 -52.09 45.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.421 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.3 p -66.93 -32.16 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 119.771 -0.771 . . . . 0.0 113.023 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.31 -48.56 81.21 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 122.168 -0.333 . . . . 0.0 110.932 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -70.49 -19.33 62.94 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.535 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 38.9 t-80 -51.36 -56.01 15.4 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.591 0.557 . . . . 0.0 110.02 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.63 16.48 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.934 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -77.42 145.3 37.25 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.573 0.701 . . . . 0.0 111.887 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.9 m-20 -83.54 175.16 9.98 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.475 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 52.5 p-80 -59.73 -44.18 93.88 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.418 0.627 . . . . 0.0 109.681 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.9 p-10 -63.86 -35.34 80.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.726 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -68.21 -41.11 81.81 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.419 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' ASP . 60.5 t -64.1 -38.85 83.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mt -66.82 -47.96 70.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.291 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 95.4 mt -62.16 -44.05 97.48 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' B' ' 41' ' ' LEU . 60.8 t80 -62.33 -54.81 35.15 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.156 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -59.01 -37.81 77.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 6.1 ptm180 -74.14 -37.86 63.92 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' HD21 ' B' ' 41' ' ' LEU . 26.6 t0 -74.29 -40.19 62.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 tp -59.93 -50.46 73.66 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.021 1.328 . . . . 0.0 110.383 174.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -41.39 87.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.771 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 55.6 mtmt -63.32 -42.39 99.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.182 178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.55 -44.15 97.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.221 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.625 ' O ' ' HG3' ' A' ' 46' ' ' MET . 55.4 mt -63.09 -54.34 34.65 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.411 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.19 -29.61 61.11 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.2 0.6 . . . . 0.0 111.645 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -65.68 -45.34 83.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.87 -32.73 34.84 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.578 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 39.1 mtp -68.51 -19.95 64.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.199 0.523 . . . . 0.0 109.889 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t30 74.97 66.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.693 1.597 . . . . 0.0 111.146 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.54 117.88 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.532 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -92.47 3.08 56.19 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.248 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.08 107.75 18.9 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.396 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -105.69 15.75 26.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.22 145.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.984 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -126.51 170.8 11.64 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -89.83 118.59 29.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' HA ' ' NE2' ' A' ' 58' ' ' HIS . 4.4 pp -83.41 133.46 34.93 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 41.4 mt-10 -118.99 -73.44 0.64 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.99 92.19 2.1 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.623 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 55.6 m-70 -104.68 102.6 12.18 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.098 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -158.24 -45.45 0.06 Allowed 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 114.641 -1.163 . . . . 0.0 108.497 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -73.51 -33.61 64.86 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.524 1.154 . . . . 0.0 108.159 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -148.55 139.74 23.24 Favored 'General case' 0 N--CA 1.419 -1.985 0 CA-C-N 113.451 -1.704 . . . . 0.0 106.525 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--N 1.283 -2.297 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 CA--C 1.51 -0.582 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 16.3 mm-40 -59.67 131.83 52.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.428 0.632 . . . . 0.0 112.692 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 75.2 mtm -88.81 -15.72 33.88 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.59 -40.56 96.53 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 20.4 pt20 -69.82 -37.91 76.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.144 0.497 . . . . 0.0 110.921 178.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.99 -45.32 77.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -32.74 73.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.11 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -64.76 -39.57 93.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.855 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.03 -36.02 79.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.535 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 20' ' ' LEU . 69.1 mt -59.33 -52.01 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 175.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 14' ' ' LYS . 11.8 mm-40 -53.73 -55.08 29.42 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.991 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.85 -44.91 96.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -67.45 -39.17 85.35 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.455 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.1 ttpt -55.86 -50.82 69.56 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 124.579 1.152 . . . . 0.0 108.427 173.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -60.25 -40.39 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.123 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.9 -41.07 90.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.178 0.514 . . . . 0.0 109.914 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -67.42 -43.33 81.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.761 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 73.6 mt -59.35 -39.91 80.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -59.43 -40.59 87.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.616 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.1 mp -64.73 -55.4 20.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.392 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 5.5 m -62.13 -27.54 42.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.667 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.49 -47.09 65.0 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -73.09 -10.55 59.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.101 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 50.9 t-80 -62.86 -39.5 94.6 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.67 36.9 0.04 OUTLIER Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.881 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.577 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.3 mt -88.13 152.01 22.3 Favored 'General case' 0 CA--C 1.487 -1.445 0 C-N-CA 119.717 -0.793 . . . . 0.0 112.122 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.0 m-20 -78.26 162.55 26.46 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 104.993 -2.225 . . . . 0.0 104.993 173.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 13.6 t-80 -62.17 -38.53 89.39 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 118.932 0.787 . . . . 0.0 110.582 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.63 -28.91 68.85 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.23 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 30.8 mmtp -66.77 -45.63 77.9 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 27' ' ' ASP . 39.8 t -59.23 -43.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.744 0.653 . . . . 0.0 109.58 178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 74.4 mt -61.81 -54.6 39.97 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.081 0.552 . . . . 0.0 111.15 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -39.2 93.51 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.345 0.403 . . . . 0.0 111.526 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.68 -52.99 38.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.108 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.1 p -58.04 -37.99 75.41 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 15.9 ptm180 -73.91 -44.41 55.23 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.614 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.38 -30.21 65.86 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.795 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.458 ' O ' HG13 ' B' ' 42' ' ' ILE . 41.5 tp -64.65 -48.43 74.84 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 123.328 0.651 . . . . 0.0 110.2 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.92 -43.23 91.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.914 0.864 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -65.28 -40.57 94.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 C-N-CA 125.399 1.48 . . . . 0.0 111.895 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 34' ' ' PHE . 2.3 tm? -62.14 -41.72 98.54 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.701 ' O ' ' HG3' ' B' ' 46' ' ' MET . 61.6 mt -68.97 -49.44 63.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.605 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -53.72 -32.41 51.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.203 0.601 . . . . 0.0 112.276 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' B' ' 48' ' ' VAL . 35.4 ttmt -57.54 -40.65 79.32 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 122.019 0.914 . . . . 0.0 109.759 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.44 ' HB3' HD21 ' A' ' 26' ' ' LEU . 64.2 m-85 -90.47 -22.05 21.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.084 -0.962 . . . . 0.0 113.424 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.701 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 53.8 mtp -84.93 -40.25 17.22 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.159 0.504 . . . . 0.0 110.856 -177.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -147.86 -55.26 0.22 Allowed 'General case' 0 CA--C 1.493 -1.25 0 C-N-CA 119.157 -1.017 . . . . 0.0 113.513 -166.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 44' ' ' LYS . 17.2 t -85.73 84.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.611 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.519 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.9 82.75 7.43 Favored 'General case' 0 C--N 1.263 -3.161 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.676 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 51.87 89.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.781 1.233 . . . . 0.0 112.101 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -106.89 9.58 30.8 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.698 -0.801 . . . . 0.0 111.434 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 m -76.5 81.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.605 0.717 . . . . 0.0 112.29 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -87.12 -24.97 24.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -97.08 136.24 37.91 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.03 157.75 35.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.377 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -82.19 91.78 6.78 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.209 -0.664 . . . . 0.0 109.209 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -153.37 -173.27 4.52 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.819 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -89.07 88.81 7.71 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.928 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -152.16 104.3 2.95 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 172.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -116.71 142.52 46.8 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -77.85 -26.51 49.42 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 N--CA 1.431 -1.387 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.096 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtm . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.1 mp0 -58.93 139.82 56.19 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 125.612 1.565 . . . . 0.0 110.067 -177.485 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ptm -65.98 -21.24 66.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.345 -178.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.52 99.69 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.97 -33.62 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.776 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.13 -44.51 95.37 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -37.32 86.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.87 178.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.99 -40.96 99.34 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.37 -39.81 92.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.556 177.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.6 mt -60.09 -50.52 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.86 -52.47 64.98 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.047 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -66.56 -40.29 88.95 Favored 'General case' 0 C--N 1.312 -1.047 0 O-C-N 123.721 0.638 . . . . 0.0 111.607 -174.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -67.82 -42.47 81.43 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.147 0.499 . . . . 0.0 110.153 -177.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' A' ' 42' ' ' ILE . 34.6 ttpt -60.54 -45.25 94.57 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.118 0.967 . . . . 0.0 109.212 174.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 38.2 mttp -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 122.852 0.461 . . . . 0.0 111.684 178.292 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.9 mt-10 -56.71 -39.84 74.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.501 0.667 . . . . 0.0 109.729 174.111 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.2 tm? -68.95 -44.71 72.46 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 14' ' ' LYS . 81.0 mt -57.26 -40.03 71.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 94.0 mt-30 -65.19 -33.12 75.26 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.002 178.326 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 94.9 mt -71.06 -49.92 39.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.292 176.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.6 t -61.05 -33.27 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 CA-C-O 121.59 0.71 . . . . 0.0 110.215 175.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.36 69.54 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.004 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -67.19 -19.52 65.57 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.728 0.299 . . . . 0.0 111.517 -178.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 36.8 t-80 -57.81 -29.53 64.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.04 174.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.75 39.98 0.25 Allowed Glycine 0 N--CA 1.431 -1.649 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.29 177.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.8 mt -94.95 147.41 23.41 Favored 'General case' 0 CA--C 1.489 -1.382 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.979 177.074 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.8 m-20 -72.87 168.01 19.79 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 175.287 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.613 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.4 t-80 -58.16 -42.89 86.97 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.261 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.18 -39.95 94.41 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.106 178.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.0 mmtm -63.93 -47.51 80.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 27' ' ' ASP . 58.7 t -58.98 -42.43 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 O-C-N 123.391 0.432 . . . . 0.0 109.966 178.515 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 72.6 mt -65.69 -46.95 77.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.31 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.99 -46.63 89.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.33 0.394 . . . . 0.0 110.295 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.77 -53.25 58.52 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.108 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -59.79 -41.64 91.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -72.34 -36.97 68.95 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.646 -178.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.63 -40.83 72.88 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -61.9 -47.11 86.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.722 176.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.31 -49.57 75.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.41 -31.74 72.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 52.3 tp -65.79 -43.79 87.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.409 0.623 . . . . 0.0 109.54 175.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' MET . 76.2 mt -67.4 -47.17 81.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.04 -33.37 70.68 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.411 0.444 . . . . 0.0 110.859 178.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 22.4 ttmm -57.49 -49.04 77.58 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.443 0.64 . . . . 0.0 109.672 176.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.89 -19.26 58.97 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.63 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 53.1 mtp -78.72 9.41 4.16 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.366 0.603 . . . . 0.0 110.079 175.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 83.11 14.63 0.37 Allowed 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 127.137 2.175 . . . . 0.0 112.257 173.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t -81.13 108.63 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 172.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -95.39 94.01 7.58 Favored 'General case' 0 C--N 1.272 -2.804 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -170.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -101.84 76.19 1.61 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 166.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -99.72 23.67 9.31 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.214 1.006 . . . . 0.0 110.963 -173.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.3 m -98.4 7.88 8.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.394 174.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -87.05 101.66 13.67 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.08 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 69.23 80.92 0.18 Allowed 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.374 1.046 . . . . 0.0 110.158 -171.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.6 ' H ' HD23 ' A' ' 55' ' ' LEU . 1.7 pt? -99.03 177.52 5.21 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.336 177.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 72.34 104.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.589 1.181 . . . . 0.0 108.82 -173.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -100.43 -4.59 28.63 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.345 -173.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -78.55 127.91 32.8 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -83.84 85.43 7.3 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 122.057 0.932 . . . . 0.0 111.515 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -99.58 -61.8 1.32 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.677 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -99.87 -30.62 11.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.769 0.795 . . . . 0.0 109.06 179.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.6 t60 . . . . . 0 C--N 1.302 -1.493 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 177.665 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -91.43 148.95 21.95 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.405 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.458 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 4.0 ppp? -123.74 -3.66 8.21 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.124 175.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.09 -45.75 24.68 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.042 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 16.3 mm100 -82.65 -30.8 29.08 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' B' ' 3' ' ' MET . 3.2 tm? -55.35 -47.41 75.79 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.119 174.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.4 mmmt -61.29 -39.25 89.74 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.47 176.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.4 -42.12 98.77 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.453 0.471 . . . . 0.0 110.217 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 85.1 mttt -61.18 -45.23 95.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.499 177.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 53.1 mt -59.25 -50.95 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 30.1 mm-40 -55.96 -51.93 65.94 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.7 0.625 . . . . 0.0 110.512 178.094 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -59.45 -46.96 87.27 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -68.01 -38.66 82.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.883 0.373 . . . . 0.0 110.155 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.3 ttpt -56.43 -48.84 76.17 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 108.963 176.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 60.1 mtpt -64.98 -39.72 93.89 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.949 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.509 ' O ' HD22 ' B' ' 20' ' ' LEU . 47.4 mt-10 -58.59 -40.59 83.63 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.15 -46.29 74.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.964 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.3 mt -53.76 -40.84 45.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 O-C-N 123.958 0.786 . . . . 0.0 109.115 179.273 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -56.92 -42.05 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.013 175.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.509 HD22 ' O ' ' B' ' 16' ' ' GLU . 2.0 mm? -69.87 -48.68 57.85 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.721 177.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 17.0 t -62.57 -35.19 69.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 CA-C-O 121.329 0.585 . . . . 0.0 110.942 -178.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -67.61 -45.12 76.35 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.709 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -75.76 -5.29 45.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 0.0 111.038 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 33.4 t-80 -68.58 -38.95 81.12 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.13 39.15 0.03 OUTLIER Glycine 0 N--CA 1.433 -1.533 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.872 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' B' ' 30' ' ' LYS . 63.3 mt -96.38 118.44 32.91 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-O 121.869 0.843 . . . . 0.0 110.304 176.044 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.73 67.03 5.39 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.773 -177.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 58.45 -59.1 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.248 1.819 . . . . 0.0 115.221 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -67.24 -34.61 77.82 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 26' ' ' LEU . 43.3 mmtm -61.8 -42.36 98.92 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.626 174.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.25 -45.45 98.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 85.0 mt -58.65 -57.36 13.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.653 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.7 -39.67 85.36 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 123.318 0.386 . . . . 0.0 111.567 -178.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.437 ' CE1' HG12 ' A' ' 42' ' ' ILE . 57.2 t80 -60.9 -53.39 57.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.706 177.094 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -36.19 76.57 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 99.0 mtt180 -66.89 -45.62 77.46 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 122.722 0.409 . . . . 0.0 111.344 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 8.5 t70 -74.45 -38.44 62.98 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.034 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.48 -45.49 93.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 175.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.63 -40.7 88.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.502 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 21.3 pttp -76.03 -33.7 59.65 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.669 -177.472 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' HE2' ' B' ' 44' ' ' LYS . 51.9 tp -63.75 -38.32 90.68 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.178 0.513 . . . . 0.0 110.131 177.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG3' ' B' ' 46' ' ' MET . 64.6 mt -71.2 -59.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.003 -178.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.06 -31.73 61.36 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 123.266 0.626 . . . . 0.0 111.776 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.422 ' HE2' HD12 ' B' ' 41' ' ' LEU . 40.0 ttpt -60.15 -56.14 25.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.247 0.619 . . . . 0.0 110.081 176.017 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.31 -26.76 64.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.79 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 61.6 mtp -71.53 -42.12 68.34 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 t30 64.43 30.3 13.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.53 1.132 . . . . 0.0 109.379 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 16.2 m -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 122.576 1.179 . . . . 0.0 111.443 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -110.34 90.63 3.37 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.98 -1.464 . . . . 0.0 108.426 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 52' ' ' VAL . 20.2 t70 -77.65 171.27 15.18 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.703 -177.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -69.93 16.76 0.06 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.415 1.486 . . . . 0.0 112.156 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.437 ' H ' ' C ' ' B' ' 50' ' ' ASP . 24.0 m -56.93 122.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 123.915 0.886 . . . . 0.0 110.295 -178.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -83.68 148.11 27.28 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.268 -176.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -88.26 146.66 25.21 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 170.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.0 mt -59.43 115.34 3.2 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 123.668 0.605 . . . . 0.0 111.126 -176.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -43.2 -30.33 0.47 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.287 2.235 . . . . 0.0 115.079 -174.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . 0.271 10.3 p-80 62.31 173.1 0.13 Allowed 'General case' 0 C--O 1.244 0.812 0 C-N-CA 125.561 1.544 . . . . 0.0 111.624 -174.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 27.9 t60 70.56 116.37 0.04 OUTLIER 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.883 0.849 . . . . 0.0 109.673 -174.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -91.19 119.47 31.31 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-O 121.531 0.681 . . . . 0.0 110.492 -176.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -87.8 88.25 7.6 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.573 -178.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -92.0 3.59 54.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.243 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.384 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 CA--C 1.496 -1.12 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 5' ' ' GLN . 8.2 tp10 -145.07 111.0 5.46 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ptm -86.55 -14.97 41.36 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.308 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -36.39 92.39 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 4.1 pt20 -75.86 -36.34 59.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.938 0.399 . . . . 0.0 110.335 -178.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -69.01 -45.53 70.3 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 5.5 mmmt -65.49 -34.54 78.5 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.827 176.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.7 -38.82 90.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.5 mttm -62.65 -47.11 85.14 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.603 HG12 ' HB3' ' B' ' 20' ' ' LEU . 81.3 mt -55.1 -49.1 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.171 175.009 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 13.0 mm-40 -57.35 -52.19 66.37 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 123.226 0.329 . . . . 0.0 110.516 178.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.92 -43.96 91.21 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.836 0.71 . . . . 0.0 110.984 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.25 -48.25 68.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.095 -178.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.5 ttpt -56.91 -44.4 82.34 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 124.513 1.125 . . . . 0.0 109.532 176.327 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 29.7 mtpp -64.93 -38.28 90.43 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.717 177.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.2 mt-10 -56.8 -41.32 77.54 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.346 0.594 . . . . 0.0 109.444 175.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -71.0 -44.53 65.72 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.419 -179.034 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.4 mt -58.91 -42.42 85.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 24.2 mt-30 -64.69 -32.31 73.93 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.775 177.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 89.8 mt -67.34 -53.32 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.532 -0.27 . . . . 0.0 111.443 176.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.0 m -62.69 -31.7 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 119.731 -0.788 . . . . 0.0 111.356 176.3 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.75 81.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.493 -179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.8 ptp180 -67.15 -18.93 65.5 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.614 0.571 . . . . 0.0 111.115 -178.073 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 41.9 t-80 -60.61 -28.93 68.9 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.807 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.33 41.25 0.2 Allowed Glycine 0 N--CA 1.427 -1.933 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.617 179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.692 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 26.7 mt -91.04 151.12 21.16 Favored 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.618 175.216 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.9 m-20 -73.07 164.81 26.15 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 172.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 38.6 t-80 -60.54 -37.24 80.56 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 176.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.54 -45.81 77.18 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.899 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 42.5 mmtm -68.61 -39.99 80.61 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.957 -177.259 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.7 t -61.86 -42.04 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 77.6 mt -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.95 -45.35 90.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.04 -51.53 63.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.084 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -64.13 -35.25 80.14 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 1.7 ptm180 -72.34 -43.37 64.18 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.203 -179.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.78 -44.62 80.85 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.7 -45.05 82.05 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.954 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.86 -38.72 86.89 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.168 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 1.3 mptm? -66.79 -39.5 87.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.803 175.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.78 -45.81 88.96 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.14 0.495 . . . . 0.0 109.799 175.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 46' ' ' MET . 60.1 mt -64.41 -46.89 91.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.736 177.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -54.63 -39.29 67.81 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 120.648 0.261 . . . . 0.0 110.853 178.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.87 -48.91 78.45 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 124.253 1.021 . . . . 0.0 111.052 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -81.09 -30.31 34.71 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.34 -178.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 98.8 mmm -73.72 -14.26 61.11 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.339 0.59 . . . . 0.0 109.44 177.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.72 16.19 6.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.808 1.643 . . . . 0.0 110.146 176.108 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 46' ' ' MET . 24.0 m -92.63 117.88 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 CA-C-O 122.315 1.055 . . . . 0.0 110.94 -179.122 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -107.06 25.4 11.41 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.818 -178.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.672 ' OD2' HG22 ' A' ' 52' ' ' VAL . 10.8 t70 68.62 137.49 0.03 OUTLIER 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.102 175.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.89 11.61 38.84 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -173.043 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.672 HG22 ' OD2' ' A' ' 50' ' ' ASP . 7.2 m -90.79 173.71 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 174.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -57.34 132.38 52.91 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.59 153.34 22.47 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.496 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.9 tp -58.49 132.29 53.3 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 123.944 0.898 . . . . 0.0 110.483 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -63.28 145.79 54.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.519 -178.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -93.27 -29.82 15.48 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 174.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -125.95 109.27 12.27 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -80.8 131.56 35.42 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -85.35 29.08 0.69 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.253 0.549 . . . . 0.0 111.755 -177.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -153.74 141.38 19.93 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--N 1.301 -1.505 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.331 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptp . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -93.58 123.81 37.15 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.559 177.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.416 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -64.79 -25.61 67.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -175.159 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.79 -40.8 93.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.452 177.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -71.13 -40.33 71.48 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' B' ' 3' ' ' MET . 2.5 tm? -60.83 -48.38 82.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.823 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -34.63 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.329 179.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -70.74 -38.33 73.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.807 177.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.424 HG23 ' CD2' ' A' ' 17' ' ' LEU . 45.9 mt -59.75 -45.35 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.419 177.204 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -52.78 -55.43 22.95 Favored 'General case' 0 CA--C 1.507 -0.712 0 O-C-N 123.964 0.79 . . . . 0.0 111.07 175.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.9 -46.76 78.3 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.924 0.765 . . . . 0.0 111.696 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -65.21 -44.43 88.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.133 0.492 . . . . 0.0 110.991 -176.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.537 ' O ' HG13 ' B' ' 18' ' ' ILE . 35.9 ttpt -55.73 -48.04 75.89 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 124.576 1.15 . . . . 0.0 108.963 176.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.502 -1.226 . . . . 0.0 112.154 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.2 -44.24 75.14 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 tp -65.24 -45.26 85.32 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.8 mt -58.65 -44.39 89.59 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.198 -178.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -59.38 -35.76 74.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.41 . . . . 0.0 110.611 177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.603 ' HB3' HG12 ' A' ' 10' ' ' ILE . 6.1 mp -67.12 -54.33 22.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.772 176.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.4 m -65.74 -27.02 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 CA-C-O 121.335 0.588 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.51 60.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.22 -15.79 63.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.977 0.418 . . . . 0.0 111.26 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 18.8 t-80 -57.29 -32.94 67.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.454 171.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.54 40.41 0.19 Allowed Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.374 178.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 20.9 mt -80.02 145.43 32.52 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.601 0.715 . . . . 0.0 112.296 177.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' B' ' 30' ' ' LYS . 4.9 m-20 -69.03 162.91 25.86 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 172.382 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 41.8 m80 -57.92 -43.11 86.04 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 118.062 0.392 . . . . 0.0 110.492 -179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -64.0 -35.59 81.21 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.864 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 32.2 mmtp -62.23 -45.05 95.06 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 -177.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.58 -43.76 98.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.338 0.589 . . . . 0.0 109.482 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 83.8 mt -66.62 -46.25 76.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.728 -178.515 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.9 mt -68.03 -40.0 82.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.29 -51.1 65.16 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.325 0.391 . . . . 0.0 110.727 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -57.44 -45.08 85.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -73.03 -31.43 64.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 12.1 t70 -76.51 -40.82 48.98 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.65 -46.76 88.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.615 174.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.71 -45.1 93.15 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.39 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 55.9 pttt -69.21 -33.2 72.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.032 -177.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.01 -37.56 86.22 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' B' ' 46' ' ' MET . 55.9 mt -68.8 -53.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.233 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -51.69 -38.23 54.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.566 0.747 . . . . 0.0 111.995 177.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.74 -56.11 24.3 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.67 0.606 . . . . 0.0 109.946 176.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -73.79 -24.71 59.87 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.636 -177.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 18.8 mtp -80.19 -1.32 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.671 0.272 . . . . 0.0 110.925 178.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 t30 68.06 31.94 5.21 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 122.541 1.162 . . . . 0.0 109.8 177.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.13 108.29 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.151 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -135.36 23.29 3.46 Favored 'General case' 0 C--N 1.273 -2.735 0 CA-C-N 113.95 -1.477 . . . . 0.0 108.522 -178.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.71 94.64 9.15 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.942 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 3.75 24.02 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.121 -176.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -88.08 97.11 6.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.453 0 CA-C-O 121.675 0.75 . . . . 0.0 112.484 -175.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -88.04 -23.97 23.62 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.895 0.855 . . . . 0.0 108.704 173.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -117.2 174.33 6.18 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.015 -1.448 . . . . 0.0 107.126 172.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -83.62 150.65 25.77 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.687 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -164.93 -46.26 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 176.169 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -70.7 140.73 51.53 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 104.432 -2.433 . . . . 0.0 104.432 166.103 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -78.07 93.15 4.45 Favored 'General case' 0 C--N 1.281 -2.393 0 CA-C-O 121.908 0.861 . . . . 0.0 112.994 -176.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -78.81 -19.86 51.12 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 170.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 14.5 p80 179.98 163.01 1.04 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 175.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -133.74 91.04 2.78 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 32.9 m170 . . . . . 0 C--N 1.308 -1.234 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.824 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.36 115.84 23.69 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.1 mmt -62.79 -28.82 70.25 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -173.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.49 72.26 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 177.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -63.68 -43.41 96.76 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 178.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.75 -44.97 82.24 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.355 1.034 . . . . 0.0 110.402 177.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -43.8 95.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 178.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -66.52 -35.06 79.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.484 178.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.18 -42.46 99.38 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -59.83 -47.77 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.132 176.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 31.2 mm-40 -53.41 -52.38 59.56 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 124.063 0.852 . . . . 0.0 110.647 177.34 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -59.42 -48.1 82.91 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.191 -178.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.2 -36.57 79.77 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.095 0.474 . . . . 0.0 110.4 -176.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.57 -45.87 92.31 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 109.03 174.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 8.8 mtpm? -65.26 -40.78 94.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.234 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 mt-10 -55.62 -41.3 73.31 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.337 0.589 . . . . 0.0 109.858 174.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -45.74 69.41 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 178.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 15' ' ' LYS . 67.0 mt -54.96 -41.7 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 23.0 mt-30 -58.18 -44.17 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.455 0.702 . . . . 0.0 110.529 176.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 83.9 mt -66.63 -46.01 77.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.021 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HD13 ' A' ' 26' ' ' LEU . 49.0 t -59.76 -41.99 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 174.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.86 71.27 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.619 0.768 . . . . 0.0 111.949 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 20' ' ' LEU . 16.2 ptm180 -65.55 -19.01 65.75 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 25.7 t60 -59.05 -30.33 67.96 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 -2.67 1.65 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.724 -1.227 . . . . 0.0 113.768 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.4 mp -61.67 145.44 52.26 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 178.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.1 t70 -80.23 162.14 24.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.202 -1.363 . . . . 0.0 108.518 173.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.641 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 73.8 m80 -50.95 -40.41 57.34 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.786 0.834 . . . . 0.0 110.922 178.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.11 -40.44 86.86 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.401 0.619 . . . . 0.0 110.243 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.09 -43.45 92.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.542 179.448 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' ASP . 97.6 t -62.35 -44.06 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 123.117 0.567 . . . . 0.0 109.727 178.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 66.5 mt -63.41 -52.96 59.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 179.432 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -58.32 -42.33 86.5 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 120.607 0.242 . . . . 0.0 111.121 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 72.8 t80 -59.83 -51.45 69.69 Favored 'General case' 0 N--CA 1.435 -1.178 0 O-C-N 124.198 0.936 . . . . 0.0 111.024 177.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -67.03 -31.81 72.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.803 -175.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 41.2 mtp85 -68.8 -40.28 79.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 109.884 178.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.13 -44.59 65.29 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.169 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.7 tp -57.35 -49.12 77.15 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.784 1.234 . . . . 0.0 111.752 177.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.68 -47.85 83.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 109.924 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.82 -34.04 77.42 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.155 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' HG ' ' CE1' ' B' ' 34' ' ' PHE . 50.7 tp -62.92 -41.29 99.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.632 ' O ' ' HG3' ' A' ' 46' ' ' MET . 71.6 mt -66.01 -55.17 20.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.369 178.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -53.86 -33.43 56.32 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.985 0.914 . . . . 0.0 111.275 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -62.66 -48.31 79.87 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 124.3 1.04 . . . . 0.0 110.631 177.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.23 -28.02 34.99 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.6 mtp -72.64 -30.66 64.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 176.625 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 62.91 77.61 0.32 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.616 -1.629 . . . . 0.0 109.931 -177.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.59 103.59 14.95 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.315 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.47 -176.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -133.52 22.91 4.01 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-N 113.744 -1.571 . . . . 0.0 107.862 175.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -75.57 177.61 6.62 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.254 -178.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -96.3 26.3 4.4 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.481 0.658 . . . . 0.0 111.113 -175.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.08 -12.87 16.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.581 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -119.43 88.07 2.86 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.739 0.78 . . . . 0.0 110.049 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -128.64 80.2 1.95 Allowed 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 177.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt 54.62 -166.18 0.09 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.455 -170.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.74 81.28 1.94 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 122.181 0.991 . . . . 0.0 109.439 175.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -115.09 178.16 4.39 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.827 -1.533 . . . . 0.0 107.833 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.7 t60 71.31 -58.42 0.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.644 1.178 . . . . 0.0 110.876 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -88.54 117.75 27.71 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -177.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -127.75 129.36 46.95 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -172.67 162.78 5.11 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--N 1.303 -1.44 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.422 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 C--O 1.241 0.655 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 1.6 mp0 -60.71 119.37 8.02 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.775 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.1 ptp -81.86 -3.15 53.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -173.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.19 90.25 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -62.37 -39.28 92.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.626 0.37 . . . . 0.0 110.11 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 24' ' ' HIS . 2.8 tm? -59.04 -45.08 91.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.783 178.11 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -63.46 -37.4 87.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.439 179.272 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.6 -28.61 67.08 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.497 179.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -75.69 -32.84 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.9 -44.67 98.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.995 173.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 36.6 mm-40 -54.94 -49.83 70.37 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 123.845 0.716 . . . . 0.0 109.31 174.319 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.63 -52.3 60.33 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.41 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -67.88 -40.22 83.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.866 -176.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.536 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.0 ttpt -53.8 -50.84 65.25 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.481 1.112 . . . . 0.0 108.475 174.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -61.61 -42.36 98.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.663 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -45.62 81.01 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.477 0.656 . . . . 0.0 110.493 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -42.12 82.0 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.698 -178.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 14' ' ' LYS . 66.2 mt -59.17 -40.81 81.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.919 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.76 -27.85 69.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -75.96 -50.03 16.07 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.331 178.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 1.1 m -65.93 -27.57 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 118.984 -1.087 . . . . 0.0 110.822 176.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.37 -43.48 77.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -72.36 -8.61 55.88 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.424 . . . . 0.0 111.809 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 38.8 t-80 -64.95 -26.11 68.16 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.269 172.581 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.79 38.16 0.22 Allowed Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.602 -0.809 . . . . 0.0 113.486 177.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 46.7 mt -93.41 151.98 19.4 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 121.58 0.705 . . . . 0.0 111.735 177.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.57 ' O ' HG23 ' B' ' 31' ' ' VAL . 13.1 m-20 -82.22 163.46 21.87 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 173.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.651 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 50.4 m80 -52.13 -39.88 60.54 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.088 0.404 . . . . 0.0 110.672 178.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.65 -47.36 85.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.479 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.554 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -63.16 -40.85 98.75 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.86 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 27' ' ' ASP . 33.2 t -62.55 -44.16 99.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.772 177.289 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 63.3 mt -63.33 -44.78 93.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.88 -41.06 92.03 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.367 0.417 . . . . 0.0 111.489 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.402 ' CE1' ' HG ' ' A' ' 41' ' ' LEU . 91.8 t80 -64.93 -49.09 71.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.44 178.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.481 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.4 p -61.43 -38.43 87.1 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 13.3 ptm180 -73.51 -37.24 65.74 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.11 -42.03 76.65 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.147 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.91 -41.66 97.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.996 177.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.84 -49.01 79.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.269 178.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.5 -35.87 81.33 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.513 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.24 -44.64 96.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.354 0.597 . . . . 0.0 109.908 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' B' ' 46' ' ' MET . 44.3 mt -68.97 -51.15 47.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.667 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.55 -27.92 68.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.802 0.334 . . . . 0.0 111.77 -179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.93 -54.59 43.1 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.761 0.824 . . . . 0.0 108.915 174.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD21 ' A' ' 26' ' ' LEU . 40.5 m-85 -74.74 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 -179.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 42' ' ' ILE . 14.6 mmt -73.67 -18.06 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 173.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 65.88 21.5 11.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.006 1.322 . . . . 0.0 109.65 -178.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' B' ' 46' ' ' MET . 58.1 t -90.1 100.73 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 CA-C-O 122.276 1.036 . . . . 0.0 108.384 -178.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -134.72 22.85 3.63 Favored 'General case' 0 C--N 1.25 -3.741 0 CA-C-N 113.456 -1.702 . . . . 0.0 107.161 -177.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.511 ' HB3' HG22 ' B' ' 52' ' ' VAL . 15.1 m-20 -54.84 144.75 21.65 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.09 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -97.04 7.87 45.72 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.75 -178.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' B' ' 50' ' ' ASP . 21.6 m -99.81 177.67 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -70.44 111.75 6.21 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -99.87 -167.93 1.53 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.667 -178.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.02 135.75 57.67 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -73.62 92.45 1.95 Allowed 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 174.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -101.65 127.2 48.5 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.494 -173.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -162.35 169.93 19.71 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 179.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -79.44 143.28 35.13 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -87.98 111.71 21.79 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -75.25 135.21 40.98 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.872 -177.382 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 m170 . . . . . 0 C--N 1.298 -1.665 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 177.716 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mmt . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 119.748 -0.167 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 67.33 117.56 0.03 OUTLIER 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.761 1.224 . . . . 0.0 111.919 176.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.5 ptm -57.91 -29.74 65.34 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.109 -174.17 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.64 -49.4 79.01 Favored Glycine 0 C--O 1.243 0.665 0 C-N-CA 121.528 -0.368 . . . . 0.0 112.315 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.4 mt-30 -73.0 -42.64 63.03 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.156 0.503 . . . . 0.0 109.871 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.76 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 3' ' ' MET . 1.3 tmmm? -60.66 -42.25 96.67 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.349 0.66 . . . . 0.0 109.446 -179.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.01 -35.26 80.08 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.1 mmmt -69.23 -39.3 78.62 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.29 -52.19 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -50.98 -52.12 45.91 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 123.967 0.792 . . . . 0.0 111.064 177.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.84 -49.26 77.25 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.742 -178.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -70.02 -37.81 75.74 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.108 0.48 . . . . 0.0 110.356 -176.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' HD12 ' A' ' 42' ' ' ILE . 28.7 ttpt -59.78 -44.33 93.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.669 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -66.54 -38.33 86.91 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.017 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.38 -39.0 75.13 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.18 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.7 tp -69.85 -45.44 67.76 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.177 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.5 mt -56.4 -42.81 75.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 123.371 0.419 . . . . 0.0 109.996 -178.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.79 -34.05 75.19 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 177.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.03 -50.22 30.32 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.385 -0.197 . . . . 0.0 110.76 177.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 17' ' ' LEU . 36.9 t -59.51 -38.0 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 121.397 0.618 . . . . 0.0 110.177 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.3 -52.06 51.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.656 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.72 -19.0 65.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.638 -177.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.07 -42.65 81.03 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.05 38.25 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.116 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.703 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 47.1 mt -92.17 150.83 20.7 Favored 'General case' 0 CA--C 1.483 -1.616 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.779 176.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.2 t70 -79.36 158.64 27.4 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 172.161 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.638 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.5 t-160 -54.14 -34.23 59.83 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 123.277 0.361 . . . . 0.0 110.398 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 t70 -63.68 -46.01 87.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 178.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 31.1 mmtp -59.35 -43.99 92.73 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.047 178.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' ASP . 22.0 t -60.9 -42.24 91.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 122.429 0.292 . . . . 0.0 110.511 178.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 55.7 mt -63.14 -46.06 89.0 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 62.3 mt -66.86 -46.3 75.47 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.456 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CE1' HG12 ' B' ' 42' ' ' ILE . 57.0 t80 -61.79 -49.29 76.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 123.643 0.589 . . . . 0.0 111.696 -178.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 p -57.37 -46.16 83.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.365 0.416 . . . . 0.0 111.74 -177.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.23 -30.79 62.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.83 -46.58 35.59 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 42' ' ' ILE . 14.7 tp -59.02 -43.42 91.58 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.807 176.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.6 -37.8 79.52 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.727 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.37 -31.2 42.84 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.424 -0.91 . . . . 0.0 110.769 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 44' ' ' LYS . 4.8 tt -61.48 -37.7 84.58 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.3 mt -68.43 -55.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.386 178.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -54.98 -29.17 56.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.2 1.0 . . . . 0.0 112.02 177.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 36.7 ttmt -60.85 -46.9 88.74 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 124.414 1.086 . . . . 0.0 109.594 175.323 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -83.08 -29.49 28.73 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.55 -179.008 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 78.6 mtp -68.59 -29.11 67.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.089 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 65.34 28.67 11.76 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.968 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.82 133.54 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 178.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -127.06 9.08 6.76 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.845 0.831 . . . . 0.0 109.754 178.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.33 76.58 8.33 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 -176.607 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -107.7 8.23 28.86 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 122.494 1.14 . . . . 0.0 107.977 171.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -91.05 177.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 113.624 -1.625 . . . . 0.0 107.674 178.024 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -109.98 92.91 4.24 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -109.56 92.86 4.22 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.39 -177.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.09 143.93 31.3 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -91.39 141.4 28.79 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.985 0.421 . . . . 0.0 111.053 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -109.04 107.98 18.52 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -91.69 -8.6 46.56 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -176.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -119.72 71.28 0.88 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 122.158 0.98 . . . . 0.0 108.643 176.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -101.15 -29.57 12.05 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.25 -1.341 . . . . 0.0 108.145 178.04 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -134.64 173.96 11.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.074 -0.967 . . . . 0.0 108.814 176.464 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 . . . . . 0 C--N 1.295 -1.779 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.449 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 CA--C 1.498 -1.046 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -124.02 157.88 33.41 Favored 'General case' 0 CA--C 1.488 -1.427 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -171.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.8 ptm -153.11 -33.26 0.12 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 112.879 -1.964 . . . . 0.0 108.277 170.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.23 -49.0 22.69 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -69.5 -23.41 63.62 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.855 0.836 . . . . 0.0 109.763 178.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.26 -46.04 57.58 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.93 71.66 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -58.46 -45.07 89.35 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.035 172.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -70.74 -32.42 69.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.849 177.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 17' ' ' LEU . 49.4 mt -59.11 -48.56 86.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -52.72 -55.17 24.61 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 123.688 0.618 . . . . 0.0 109.942 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 5.9 t30 -51.48 -51.57 53.96 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.029 0.83 . . . . 0.0 112.373 178.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.11 -44.67 75.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.049 0.452 . . . . 0.0 111.274 -174.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' B' ' 42' ' ' ILE . 30.2 ttpt -57.28 -43.79 83.43 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 124.124 0.97 . . . . 0.0 109.606 177.002 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.0 mtpm? -72.52 -32.97 66.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.711 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 42.9 mt-10 -59.84 -40.91 90.14 Favored 'General case' 0 C--N 1.343 0.308 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 173.191 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.3 tp -67.68 -44.77 76.99 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.617 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.9 mt -54.55 -43.68 65.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 123.575 0.547 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 49.0 mt-30 -65.94 -29.36 69.75 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.453 178.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.46 ' HA ' ' HG2' ' B' ' 23' ' ' ARG . 78.2 mt -74.73 -48.72 24.21 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.37 -0.206 . . . . 0.0 110.784 176.395 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 27.1 t -61.58 -31.88 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 121.479 0.657 . . . . 0.0 109.563 176.275 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -44.26 77.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.004 177.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 12.6 ptp180 -76.45 0.32 20.17 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.227 0.537 . . . . 0.0 111.778 -178.301 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.547 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 23.0 t-80 -67.79 -27.58 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 169.376 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.63 32.33 0.66 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.156 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 26.3 mt -76.17 148.11 37.99 Favored 'General case' 0 CA--C 1.488 -1.416 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.617 178.121 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.49 160.51 32.59 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.563 171.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.528 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 3.0 t60 -55.46 -43.73 75.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -178.189 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.78 -35.21 79.83 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.479 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 43.1 mmtm -64.98 -44.68 88.53 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 123.491 0.495 . . . . 0.0 111.608 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.76 -45.07 98.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.5 mt -58.22 -55.07 39.78 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.84 178.127 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.17 -42.33 98.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.044 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.411 ' CE1' HD22 ' A' ' 41' ' ' LEU . 87.9 t80 -61.33 -49.9 75.1 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 123.356 0.41 . . . . 0.0 110.54 179.1 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p -60.11 -32.44 70.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -74.72 -52.01 12.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.094 0.473 . . . . 0.0 110.626 178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.21 -40.49 96.28 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.385 -174.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 tp -71.82 -37.73 70.28 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.586 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.93 -44.09 97.01 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.69 -39.26 88.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.85 177.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.82 -42.59 93.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.457 HD12 ' HD3' ' B' ' 14' ' ' LYS . 69.9 mt -71.85 -44.33 67.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.264 178.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.31 -33.55 67.81 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.151 0.5 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.93 -49.14 75.96 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.716 177.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -76.59 -28.95 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 4.3 mmt -67.91 -19.27 64.98 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 m120 55.52 59.1 4.08 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.877 1.271 . . . . 0.0 110.053 -175.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -71.31 106.18 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.402 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.187 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -102.09 1.0 35.79 Favored 'General case' 0 C--N 1.278 -2.529 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.603 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.17 111.18 17.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.625 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -93.6 8.3 41.34 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.54 0.686 . . . . 0.0 110.427 -178.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 m -107.24 151.2 9.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.989 -177.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 63.0 m80 72.45 141.91 0.06 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.123 1.369 . . . . 0.0 111.981 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 73.23 113.2 0.06 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.201 1.4 . . . . 0.0 112.75 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.1 92.71 7.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 66.39 -72.77 0.08 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.786 1.234 . . . . 0.0 110.342 -175.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -142.03 -3.94 1.07 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -83.68 142.23 30.9 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -178.17 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 64.12 46.06 3.83 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.441 1.115 . . . . 0.0 109.09 -178.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -76.45 165.0 25.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.306 -1.316 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 m170 74.86 139.74 0.06 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.84 1.256 . . . . 0.0 110.684 -175.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--N 1.286 -2.166 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 179.396 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptt? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.23 144.72 26.69 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.44 178.516 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -55.22 -36.12 65.63 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.986 0.804 . . . . 0.0 111.468 -178.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.67 91.75 Favored Glycine 0 C--O 1.226 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.157 179.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.45 -25.38 28.99 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.122 0.487 . . . . 0.0 110.275 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.96 -41.25 78.22 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 172.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HD3' ' SD ' ' A' ' 46' ' ' MET . 11.1 mmmt -58.83 -38.28 78.32 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.321 174.316 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.54 -41.26 89.64 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.81 0.694 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -65.0 -47.14 78.57 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -57.43 -50.04 78.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.417 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 14.5 mm-40 -54.57 -51.51 65.02 Favored 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 123.842 0.714 . . . . 0.0 111.025 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 7.7 t30 -61.68 -47.49 85.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.317 0.385 . . . . 0.0 111.53 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.32 -40.41 97.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.05 0.452 . . . . 0.0 110.213 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.0 ttpt -57.7 -52.38 65.68 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 109.258 176.217 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 7.1 mtpm? -65.81 -34.0 77.14 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.771 -177.563 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' ASN . 38.8 mt-10 -62.73 -42.72 99.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.0 175.063 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.2 tp -64.25 -46.41 83.88 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.024 178.008 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.3 mt -54.56 -44.76 70.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 123.953 0.783 . . . . 0.0 110.023 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 16' ' ' GLU . 48.7 mt-30 -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.524 0.515 . . . . 0.0 111.157 177.03 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.35 -47.63 66.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.3 t -63.56 -37.32 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 120.958 0.409 . . . . 0.0 109.922 176.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -65.11 -50.55 65.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.306 0.642 . . . . 0.0 112.489 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -61.71 -19.27 62.21 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.477 0.311 . . . . 0.0 111.834 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 44.6 t-80 -57.44 -28.48 63.35 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.575 0.75 . . . . 0.0 111.155 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.32 -2.6 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.185 -1.484 . . . . 0.0 114.007 178.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 21' ' ' VAL . 10.9 mp -60.52 149.73 33.61 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.8 m-20 -87.34 176.42 7.54 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.286 177.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 16.1 m-70 -66.22 -43.63 86.12 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.806 0.336 . . . . 0.0 111.509 -178.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.84 -32.02 73.15 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 178.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.27 -45.71 79.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.456 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 27' ' ' ASP . 64.0 t -62.98 -40.48 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 78.8 mt -61.75 -53.51 55.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 177.634 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.864 -179.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.86 -52.0 62.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 18' ' ' ILE . 71.8 p -66.15 -38.1 87.29 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -175.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.4 ptm180 -68.69 -34.02 74.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.953 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.9 -48.04 48.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 42' ' ' ILE . 31.3 tp -54.3 -50.74 66.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.769 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -57.76 -48.68 78.97 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.306 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.89 -36.57 83.77 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.733 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.51 -45.76 92.62 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.373 0.669 . . . . 0.0 110.387 177.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.644 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.1 mt -64.39 -56.84 14.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.734 -178.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.3 -29.37 61.11 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.069 0.948 . . . . 0.0 111.872 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.65 -49.82 69.51 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.647 0.779 . . . . 0.0 109.919 175.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' HB3' HD21 ' B' ' 26' ' ' LEU . 40.5 m-85 -73.82 -33.1 64.03 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.637 -179.262 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.644 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 68.2 mtp -66.92 -41.48 87.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' OD1' ' HD2' ' A' ' 49' ' ' LYS . 27.7 t-20 77.94 76.22 0.07 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.871 1.32 . . . . 0.0 109.364 -171.229 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 46' ' ' MET . 58.2 t -108.0 131.79 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 CA-C-N 113.662 -1.608 . . . . 0.0 107.609 -179.584 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 1.9 mppt? -130.31 7.5 4.98 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -177.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.4 87.84 6.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.109 -1.86 . . . . 0.0 108.885 -172.189 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -87.57 -1.09 57.71 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.624 0.726 . . . . 0.0 111.97 -176.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m -82.23 -6.65 10.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 122.365 1.079 . . . . 0.0 108.933 172.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.19 7.1 19.39 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.695 175.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -142.25 115.17 8.71 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.243 -0.983 . . . . 0.0 111.455 -173.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 55' ' ' LEU . 1.7 pt? -120.99 107.45 12.67 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.431 178.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.52 -67.0 0.94 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.412 ' HB3' ' CD2' ' A' ' 59' ' ' HIS . 72.6 m-70 68.98 122.08 0.03 OUTLIER 'General case' 0 C--O 1.243 0.725 0 C-N-CA 125.64 1.576 . . . . 0.0 112.797 -178.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -79.8 68.88 6.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -176.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.412 ' CD2' ' HB3' ' A' ' 57' ' ' HIS . 95.6 m-70 -102.01 4.95 40.37 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.323 176.342 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 70.87 -47.2 0.65 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.802 1.641 . . . . 0.0 111.374 -178.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -80.81 117.94 21.9 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 t60 . . . . . 0 C--N 1.299 -1.625 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -179.117 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.7 tpp . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 5' ' ' GLN . 11.5 tp10 -83.39 132.03 35.01 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -81.14 -15.45 55.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.387 . . . . 0.0 109.971 -179.088 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.31 77.84 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.579 175.234 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 9.6 pt20 -73.5 -33.23 64.69 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.025 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.89 -46.58 68.02 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 5.1 mmmt -63.18 -36.74 84.63 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.041 177.021 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.46 -43.03 97.31 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.516 0.51 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 67.8 mttm -61.5 -46.61 89.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.01 -51.04 73.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 O-C-N 123.855 0.722 . . . . 0.0 110.206 178.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 31.4 mm-40 -57.22 -52.97 63.17 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.561 0.538 . . . . 0.0 111.208 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.73 -49.64 74.61 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 123.809 0.693 . . . . 0.0 110.924 -178.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.78 -46.83 77.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.002 -176.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.554 ' O ' HG13 ' B' ' 18' ' ' ILE . 32.8 ttpt -57.0 -46.42 82.31 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.606 1.163 . . . . 0.0 110.208 177.085 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 8.0 mtpm? -67.49 -36.01 80.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.124 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' NE2' ' B' ' 19' ' ' GLN . 47.4 mm-40 -60.93 -35.81 77.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.14 0.495 . . . . 0.0 111.037 174.002 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -72.31 -45.46 59.87 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.873 177.337 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 14' ' ' LYS . 87.3 mt -54.69 -43.42 65.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.483 0.489 . . . . 0.0 110.156 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' B' ' 16' ' ' GLU . 43.8 mt-30 -59.08 -39.41 82.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.128 176.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.56 -48.64 66.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.044 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.572 ' O ' HD13 ' B' ' 26' ' ' LEU . 25.4 t -60.0 -42.67 90.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.036 0.446 . . . . 0.0 110.148 175.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 112.103 -177.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.09 -9.94 55.14 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 49.5 t-80 -66.47 -30.14 70.41 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-O 120.775 0.321 . . . . 0.0 110.426 176.038 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.72 5.51 0.25 Allowed Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 119.258 -1.449 . . . . 0.0 113.842 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 21' ' ' VAL . 11.0 mp -63.76 151.18 42.81 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.853 0.835 . . . . 0.0 113.222 176.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.479 ' O ' HG23 ' B' ' 31' ' ' VAL . 5.0 m-20 -85.6 169.18 13.76 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 173.275 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.529 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 64.8 m80 -60.49 -39.22 86.92 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 117.917 0.326 . . . . 0.0 110.74 179.282 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 52.9 m-20 -63.98 -39.68 94.67 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.159 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 48.9 mmtt -58.7 -44.41 90.31 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.78 178.18 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 27' ' ' ASP . 43.8 t -62.13 -46.05 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.465 0.478 . . . . 0.0 109.819 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 72.9 mt -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.66 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 84.7 mt -70.43 -39.43 74.4 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -65.1 -51.98 58.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.301 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 p -60.49 -37.86 82.45 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -73.1 -36.68 66.81 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.997 -178.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' B' ' 40' ' ' LYS . 14.1 t70 -69.59 -45.18 69.22 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.139 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.553 176.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.34 -41.04 88.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.909 -179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 37' ' ' ASP . 12.8 pttm -70.91 -33.7 70.81 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.557 -177.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.35 -38.02 89.52 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' B' ' 46' ' ' MET . 74.5 mt -68.1 -55.18 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 114.284 -1.325 . . . . 0.0 108.803 179.312 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.43 -42.76 61.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.484 0.713 . . . . 0.0 111.072 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.16 -48.46 78.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 178.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 26' ' ' LEU . 43.8 m-85 -80.03 -25.2 40.27 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.328 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 75.7 mtp -68.35 -21.47 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.555 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.1 t30 68.06 25.53 7.48 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.771 1.272 . . . . 0.0 108.74 178.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.78 143.84 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.739 -177.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -130.18 21.97 5.27 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 -177.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.65 91.65 4.04 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.121 -174.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -126.5 46.33 2.49 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.501 -1.681 . . . . 0.0 106.924 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -51.7 144.72 2.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 113.142 -1.845 . . . . 0.0 113.363 -177.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -123.07 145.48 48.51 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.281 -1.327 . . . . 0.0 107.888 -178.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 64.87 83.22 0.17 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.923 0.764 . . . . 0.0 109.527 -176.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.613 ' H ' HD23 ' B' ' 55' ' ' LEU . 2.0 pt? -81.17 84.59 6.52 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 122.836 1.303 . . . . 0.0 110.119 179.592 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.53 -37.0 8.99 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.598 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 29.2 m170 63.85 -172.53 0.17 Allowed 'General case' 0 C--O 1.25 1.102 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.56 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 61' ' ' HIS 0.282 7.4 p-80 -97.66 68.7 2.11 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.633 1.206 . . . . 0.0 111.299 175.718 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -68.75 -47.81 65.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.913 -1.494 . . . . 0.0 107.843 179.012 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -100.5 73.04 1.61 Allowed 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.485 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.406 ' HB3' ' HB2' ' B' ' 58' ' ' HIS . 15.4 p-80 -88.2 156.11 19.4 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.123 -178.327 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 51.8 m80 . . . . . 0 C--N 1.29 -2.013 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 179.284 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.823 0.344 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.72 112.11 14.45 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -179.067 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptp -79.89 -12.37 59.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -174.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.93 -54.38 14.62 Favored Glycine 0 N--CA 1.439 -1.165 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 177.559 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 26.1 mm-40 -66.74 -19.17 65.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.821 0.343 . . . . 0.0 110.441 178.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.4 -50.18 16.65 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.83 -34.05 72.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.588 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 5' ' ' GLN . 13.5 t-20 -57.77 -41.54 82.21 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.288 1.435 . . . . 0.0 110.471 177.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 44.5 mmtm -75.36 -32.47 60.86 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.1 mt -67.91 -44.43 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.949 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 11.4 mm-40 -58.76 -50.62 73.25 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.702 0.626 . . . . 0.0 110.051 177.391 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.68 -50.22 74.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.87 -179.096 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.48 -41.78 92.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.188 0.518 . . . . 0.0 110.544 -175.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.9 ttpt -59.9 -44.8 94.05 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 124.294 1.037 . . . . 0.0 109.617 175.53 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 62.4 mtpt -65.94 -37.35 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.38 -42.28 81.83 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.116 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.6 -46.15 80.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.387 178.919 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 14' ' ' LYS . 70.3 mt -57.54 -41.8 79.74 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 123.661 0.601 . . . . 0.0 110.032 -178.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.43 -39.47 93.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 176.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.9 -49.8 55.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.61 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.542 ' O ' HD13 ' A' ' 26' ' ' LEU . 6.8 p -66.31 -31.75 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.779 177.324 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -60.28 -51.54 69.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.791 0.329 . . . . 0.0 110.582 175.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -66.63 -17.62 64.93 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 32.6 t-80 -54.56 -41.45 69.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.296 173.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.77 -7.48 0.13 Allowed Glycine 0 N--CA 1.438 -1.226 0 C-N-CA 119.496 -1.335 . . . . 0.0 112.914 -176.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.57 144.56 31.31 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-O 122.164 0.983 . . . . 0.0 113.392 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.9 m-20 -78.35 159.78 28.19 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 176.457 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -64.6 -26.93 68.62 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 118.314 0.506 . . . . 0.0 111.898 178.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.3 t70 -68.05 -40.35 82.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.61 173.518 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -61.16 -38.25 85.79 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.154 177.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' ASP . 59.1 t -65.09 -38.52 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 123.53 0.519 . . . . 0.0 109.828 -178.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.9 -47.0 79.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.775 177.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 63.0 mt -66.65 -45.1 80.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.558 -179.364 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 87.6 t80 -61.64 -52.35 64.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.08 -179.31 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.4 p -62.49 -37.2 85.08 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -175.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.94 -41.43 64.48 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -178.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.96 -45.71 66.82 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 42' ' ' ILE . 40.8 tp -54.97 -50.07 69.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.599 1.16 . . . . 0.0 111.558 178.4 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.45 -47.47 76.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.097 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -67.84 -34.8 77.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.067 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.24 -40.61 90.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.056 0.455 . . . . 0.0 110.329 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.8 mt -65.97 -56.99 12.34 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.046 -179.691 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' A' ' 48' ' ' VAL . 94.2 m-20 -57.97 -31.26 66.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.24 -178.471 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.84 -49.67 75.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.56 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' B' ' 26' ' ' LEU . 10.0 m-85 -74.04 -33.77 63.85 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.435 -179.616 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 62.6 mtp -63.55 -23.58 67.45 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.612 0.57 . . . . 0.0 110.612 178.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 78.0 11.06 2.0 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.687 1.195 . . . . 0.0 109.778 -179.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' A' ' 43' ' ' ASN . 25.3 m -114.15 117.21 54.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.69 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -111.15 24.66 12.61 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 122.661 1.219 . . . . 0.0 109.718 -177.115 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -138.73 156.49 47.34 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 104.236 -2.505 . . . . 0.0 104.236 174.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -94.61 6.52 48.61 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 119.649 -0.821 . . . . 0.0 111.532 -178.119 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.0 m -128.66 162.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.039 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.504 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -71.61 -17.74 62.26 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.343 0.402 . . . . 0.0 110.854 -178.473 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 70.27 80.7 0.17 Allowed 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 176.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.15 113.81 25.83 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.292 177.177 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.47 -48.42 72.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.107 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -133.91 111.05 10.14 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.479 179.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -108.98 109.67 20.77 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.86 0.838 . . . . 0.0 110.163 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.18 28.53 6.34 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -145.04 143.4 30.45 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 -178.103 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 75.73 -58.23 0.55 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.168 0.987 . . . . 0.0 110.521 -179.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 . . . . . 0 C--N 1.291 -1.938 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.65 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.8 tpp . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -110.05 133.22 53.43 Favored 'General case' 0 N--CA 1.412 -2.339 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' B' ' 7' ' ' LYS . 23.2 ptp -65.46 -30.96 71.81 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.595 -177.274 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 -36.31 65.63 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 26.9 mm-40 -76.85 -31.29 56.75 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.127 177.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.42 -46.46 88.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 173.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -64.05 -34.46 78.06 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.761 179.085 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.128 177.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 35.2 mmtp -66.02 -37.59 86.29 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 177.305 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 73.6 mt -60.23 -47.62 91.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.865 176.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 72.3 mm-40 -59.58 -50.02 75.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -51.82 -52.17 51.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.701 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.83 -38.18 73.23 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.643 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.563 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.3 ttpt -56.63 -50.02 73.27 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.475 0.71 . . . . 0.0 109.248 175.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -60.45 -40.3 90.66 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.313 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -57.83 -41.38 82.16 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.252 0.548 . . . . 0.0 110.635 176.132 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 14' ' ' LYS . 12.6 tp -67.17 -45.11 77.98 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.844 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 14' ' ' LYS . 75.0 mt -56.88 -43.89 81.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.14 -178.042 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.183 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -77.96 -47.44 18.55 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.097 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 2.7 m -65.73 -27.36 41.17 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 0 CA-C-O 121.464 0.649 . . . . 0.0 110.2 177.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -68.69 -45.62 71.17 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.187 178.352 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -75.08 -1.0 20.93 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.344 0.592 . . . . 0.0 111.643 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 41.5 t-80 -72.0 -29.0 63.77 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.792 171.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.57 -8.3 0.86 Allowed Glycine 0 CA--C 1.508 -0.358 0 C-N-CA 119.174 -1.489 . . . . 0.0 114.065 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.7 mp -56.58 141.41 43.28 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 4.5 m-20 -75.5 176.08 7.9 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 173.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.499 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 62.2 m170 -68.59 -38.81 80.95 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.263 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -32.05 72.57 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 120.521 0.2 . . . . 0.0 110.737 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 31.4 mmtm -59.73 -45.63 91.58 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 175.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 27' ' ' ASP . 60.5 t -62.58 -43.96 98.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.387 179.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 94.2 mt -60.98 -52.88 63.14 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.182 0.593 . . . . 0.0 111.633 178.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.87 -39.83 95.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 -178.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.7 -52.67 41.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 54.6 p -59.01 -39.4 81.75 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -175.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -73.34 -37.07 66.24 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.731 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -69.15 -40.81 77.97 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.93 -50.11 74.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.349 175.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.45 -45.91 84.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.961 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -56.3 -47.01 79.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 125.332 1.453 . . . . 0.0 110.502 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.78 -41.77 95.6 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.704 ' O ' ' HG3' ' B' ' 46' ' ' MET . 53.4 mt -67.83 -51.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.071 -178.176 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -55.31 -35.43 65.12 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.954 0.502 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.49 -45.32 92.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.732 178.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -78.72 -32.76 46.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.704 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.3 mtp -65.26 -29.68 70.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.178 -178.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 69.36 16.95 8.27 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.499 1.12 . . . . 0.0 112.162 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.2 133.3 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.612 178.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -110.3 99.09 8.18 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.36 93.26 2.89 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 122.938 1.351 . . . . 0.0 110.786 -178.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -100.99 33.4 2.84 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.306 176.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.63 60.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.442 -1.254 . . . . 0.0 113.925 -175.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -82.91 144.26 30.16 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 172.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt 63.46 83.85 0.16 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -168.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.433 ' H ' HD23 ' B' ' 55' ' ' LEU . 2.5 pt? -66.27 141.06 58.15 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.289 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -83.58 25.83 0.73 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 120.804 0.335 . . . . 0.0 110.388 -176.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 38.8 m80 55.67 81.24 0.12 Allowed 'General case' 0 CA--C 1.5 -0.967 0 C-N-CA 124.481 1.113 . . . . 0.0 110.586 -175.127 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -88.37 -17.78 29.83 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.654 -173.233 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -92.58 68.03 4.72 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 122.162 0.982 . . . . 0.0 109.985 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -136.62 -50.85 0.68 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 62.99 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.39 1.476 . . . . 0.0 112.373 173.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.034 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 CA--C 1.506 -0.716 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -46.27 118.27 1.87 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 0.0 111.693 -177.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.3 ptm -54.96 -35.27 64.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.456 0.703 . . . . 0.0 112.794 -174.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.33 91.36 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.087 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.495 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 79.5 mm-40 -88.16 -39.4 14.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.817 0.341 . . . . 0.0 111.251 177.578 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.95 -51.68 68.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.728 -177.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -67.19 -28.48 68.13 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.057 179.545 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.66 -41.53 88.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.475 178.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.3 mmmt -68.7 -37.49 79.57 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.03 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.69 -51.5 69.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 175.372 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 33.3 mm-40 -52.83 -52.83 55.61 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 123.612 0.57 . . . . 0.0 111.452 178.022 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 45.8 t30 -60.07 -47.56 85.35 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.767 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 13' ' ' LYS . 3.0 tppp? -69.51 -38.67 77.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -176.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' O ' HG13 ' A' ' 18' ' ' ILE . 32.2 ttpt -59.44 -45.08 92.58 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.486 0.715 . . . . 0.0 109.657 175.457 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 28.4 mtpp -62.67 -42.71 99.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.205 178.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 mm-40 -55.91 -41.08 73.98 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 176.123 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.13 -45.23 81.77 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.814 178.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.4 mt -57.76 -43.02 83.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.725 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 70.9 mt-30 -59.16 -41.33 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.616 0.573 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.3 mt -66.38 -49.58 66.37 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.816 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 2.4 m -65.44 -31.34 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.889 177.179 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.13 68.49 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.245 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -67.58 -18.54 65.03 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.721 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.5 t-80 -55.26 -40.54 71.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 172.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.81 45.81 0.04 OUTLIER Glycine 0 N--CA 1.429 -1.825 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.356 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 24.9 mt -93.8 147.77 22.75 Favored 'General case' 0 CA--C 1.477 -1.859 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.592 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 8.7 m-20 -65.94 160.26 23.87 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 171.07 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 93.1 m-70 -63.9 -33.73 76.35 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.82 177.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.25 -35.36 80.8 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.467 174.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 44.7 mmtm -63.57 -45.14 91.83 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.8 -43.98 85.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.039 178.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 75.3 mt -61.02 -53.56 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.572 177.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.4 -39.69 94.06 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.578 -178.17 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' B' ' 42' ' ' ILE . 81.5 t80 -64.75 -50.1 68.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 178.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 p -64.55 -34.88 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 83.2 mtp180 -67.76 -44.27 77.89 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.651 178.292 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 11.2 t70 -72.94 -40.74 65.16 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.174 -176.756 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.6 -44.66 96.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.934 177.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.99 -34.97 79.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.37 -177.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 18.4 pttm -69.74 -33.73 72.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.069 -178.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.83 -37.53 86.48 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' O ' ' HG2' ' A' ' 46' ' ' MET . 64.1 mt -73.31 -44.41 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.093 -179.032 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -57.34 -36.91 71.76 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.834 0.35 . . . . 0.0 110.782 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.8 -48.47 78.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.899 178.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 26' ' ' LEU . 36.3 m-85 -79.22 -28.03 42.51 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -178.1 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.508 ' HB3' HG13 ' A' ' 48' ' ' VAL . 7.2 mmt -68.11 -30.22 69.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 173.604 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.422 ' OD1' ' HE3' ' A' ' 49' ' ' LYS . 66.4 t30 63.23 33.54 14.14 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 125.724 1.61 . . . . 0.0 108.785 -177.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 46' ' ' MET . 15.8 m -77.0 103.18 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.27 0 CA-C-O 122.164 0.983 . . . . 0.0 111.049 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE3' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mttt -104.12 99.4 9.14 Favored 'General case' 0 C--N 1.266 -3.023 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 176.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.3 168.78 13.54 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.794 0.807 . . . . 0.0 112.719 -173.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -122.96 23.4 9.34 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.587 177.106 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.4 -24.54 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 121.379 0.609 . . . . 0.0 109.424 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -84.51 160.45 20.51 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -90.55 112.53 24.25 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.535 0.683 . . . . 0.0 111.119 -176.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.0 mt -94.23 -175.74 3.76 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.145 177.655 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.08 164.58 25.91 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.202 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -85.05 70.0 10.86 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.871 0.843 . . . . 0.0 110.648 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 64.3 73.42 0.43 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.293 -178.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -105.33 -47.64 3.9 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.008 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -93.11 -41.61 9.85 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 N--CA 1.425 -1.695 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.926 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 113.35 3.46 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.0 mtm -81.52 -1.55 46.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -175.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.17 65.84 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 170.535 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.99 -36.19 77.56 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.981 -0.61 . . . . 0.0 109.98 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' B' ' 10' ' ' ILE . 2.6 tm? -60.95 -45.32 95.21 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.532 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -38.14 89.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.727 0.411 . . . . 0.0 109.999 177.457 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.61 -42.27 98.64 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.649 0.78 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.69 -37.24 82.02 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.689 176.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 6' ' ' LEU . 64.4 mt -59.63 -51.07 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.136 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 63.1 mm-40 -54.62 -52.57 61.84 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 123.619 0.574 . . . . 0.0 110.084 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.82 -45.07 90.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.614 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.479 ' CE ' ' HA ' ' B' ' 13' ' ' LYS . 0.7 OUTLIER -70.22 -40.5 74.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.7 -175.701 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' B' ' 42' ' ' ILE . 34.2 ttpt -57.87 -46.35 84.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.323 175.201 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 30.3 mtpp -66.92 -41.41 87.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.826 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 41.1 mt-10 -58.37 -36.11 72.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 174.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 21' ' ' VAL . 15.4 tp -68.55 -48.3 64.64 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.951 176.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 95.3 mt -53.36 -44.83 55.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 123.722 0.639 . . . . 0.0 110.248 179.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.34 -33.11 73.07 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.562 0.539 . . . . 0.0 111.292 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 88.9 mt -74.2 -46.9 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.273 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 17' ' ' LEU . 38.8 t -58.84 -38.27 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 CA-C-O 121.394 0.616 . . . . 0.0 109.663 175.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -66.11 -49.41 67.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.025 0.93 . . . . 0.0 111.803 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 20' ' ' LEU . 7.7 ptm180 -69.67 -6.33 30.83 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.909 0.385 . . . . 0.0 111.952 -177.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 29.0 t-80 -67.52 -35.87 79.92 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.233 174.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.03 -5.99 0.27 Allowed Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 119.753 -1.213 . . . . 0.0 112.718 -177.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 11.0 mp -59.27 141.7 53.73 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 175.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 31' ' ' VAL . 27.0 m-20 -88.76 175.39 7.51 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 176.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 27.3 t-80 -56.93 -39.79 75.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.172 0.442 . . . . 0.0 110.637 -176.751 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.1 t70 -54.26 -47.31 72.43 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 124.538 1.135 . . . . 0.0 110.594 176.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.403 ' HB3' ' HG ' ' B' ' 26' ' ' LEU . 27.4 mmtm -65.23 -37.77 88.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.4 -178.008 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 27' ' ' ASP . 20.2 t -68.33 -39.21 80.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 86.1 mt -63.48 -57.69 9.41 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.828 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 61.8 mt -62.84 -37.09 85.43 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.529 -175.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.6 -50.75 63.95 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.751 178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.3 p -60.31 -38.38 83.52 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 93.9 mtt180 -65.53 -51.97 56.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.214 0.606 . . . . 0.0 111.21 178.79 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.05 -36.32 77.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.602 -174.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.6 -44.04 87.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.614 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.53 -48.53 81.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.086 -178.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -57.9 -42.83 85.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.522 177.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.2 -45.23 95.45 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.5 mt -66.26 -50.77 65.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.592 -179.448 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.28 -37.29 64.58 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.215 0.606 . . . . 0.0 111.159 178.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.86 -51.46 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.124 176.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.42 -33.17 64.81 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 36.8 mtp -70.89 -9.16 57.18 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.333 0.587 . . . . 0.0 109.769 179.005 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.0 t30 69.62 46.02 0.75 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.168 1.787 . . . . 0.0 110.575 178.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.1 t -101.16 110.14 27.32 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.848 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -95.33 100.27 12.08 Favored 'General case' 0 C--N 1.272 -2.8 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -119.9 116.14 25.21 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.662 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -145.86 19.24 1.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 168.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -99.0 -21.39 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.824 -175.221 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -91.61 -19.59 22.54 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.041 175.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -156.85 123.49 5.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -177.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.4 102.21 0.02 OUTLIER 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.158 1.783 . . . . 0.0 115.519 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.08 -51.73 65.48 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.052 179.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -95.37 76.86 3.39 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-O 122.126 0.965 . . . . 0.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -149.28 99.25 2.91 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.47 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -154.52 -47.57 0.09 Allowed 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -178.61 138.7 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.177 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -132.45 164.66 26.06 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.813 179.535 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 C--N 1.287 -2.14 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 173.099 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.68 154.5 17.3 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.389 -177.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.629 -175.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.54 -46.07 95.09 Favored Glycine 0 C--O 1.239 0.467 0 O-C-N 123.481 0.488 . . . . 0.0 112.056 178.116 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -79.5 -28.88 41.42 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.136 -179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.83 -43.51 92.84 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -59.83 -39.91 86.68 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.991 175.228 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -62.38 -41.98 99.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.726 0.641 . . . . 0.0 109.601 178.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.08 -49.84 75.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 177.2 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 HG12 ' HB3' ' B' ' 20' ' ' LEU . 68.1 mt -57.58 -49.38 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.522 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 50.1 mt-10 -59.27 -51.63 69.15 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 123.697 0.623 . . . . 0.0 110.944 178.597 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.62 -44.91 90.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 123.146 0.578 . . . . 0.0 111.783 -178.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -67.14 -41.5 86.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -178.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.8 ttpt -56.9 -46.92 81.59 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 124.735 1.214 . . . . 0.0 109.294 173.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -66.87 -37.01 83.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.391 -178.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.48 -36.46 78.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.415 174.324 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HB2' ' HG3' ' B' ' 13' ' ' LYS . 1.4 tm? -72.14 -44.95 62.32 Favored 'General case' 0 N--CA 1.426 -1.675 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 14' ' ' LYS . 74.4 mt -58.29 -40.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.414 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -64.45 -32.97 74.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.049 177.175 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.78 -50.45 35.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.958 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 19.0 t -61.37 -34.24 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-O 121.388 0.613 . . . . 0.0 110.521 177.217 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -50.41 57.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.12 -19.24 64.26 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 123.358 0.411 . . . . 0.0 111.598 -177.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 8.7 t-80 -54.46 -41.09 69.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 174.143 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.23 37.98 0.13 Allowed Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.411 -178.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 30' ' ' LYS . 16.6 mt -83.74 149.48 26.43 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 121.745 0.783 . . . . 0.0 111.516 178.005 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.7 m-20 -74.28 161.44 29.9 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 174.145 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -59.75 -39.54 85.12 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.593 0.711 . . . . 0.0 109.648 -178.085 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.1 m-20 -65.37 -27.05 68.3 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.54 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 34.1 mmtp -75.7 -46.21 32.52 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -177.166 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.21 -43.79 86.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 O-C-N 123.892 0.745 . . . . 0.0 109.648 178.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 29' ' ' ASP . 3.8 pp -69.65 -40.33 76.55 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.5 mt -69.44 -38.97 78.07 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.833 0.349 . . . . 0.0 110.558 179.035 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -64.6 -52.43 57.58 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.876 179.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 p -59.38 -37.54 78.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.55 -36.34 63.11 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.615 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.7 -44.03 52.14 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.63 -48.93 71.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.312 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -61.23 -38.26 86.0 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.875 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.84 -36.92 67.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.945 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.12 -42.26 90.18 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.654 ' O ' ' HG3' ' A' ' 46' ' ' MET . 69.5 mt -64.63 -57.25 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.248 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -51.81 -40.01 59.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 0.0 111.647 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.38 -50.72 72.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.096 0.872 . . . . 0.0 111.128 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.88 -38.3 73.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 178.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 57.5 mtp -63.99 -41.96 97.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.349 0.595 . . . . 0.0 109.534 -179.214 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 t30 70.71 64.26 0.19 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.686 -173.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.31 133.82 52.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 CA-C-N 113.585 -1.643 . . . . 0.0 107.174 175.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -117.95 6.5 12.19 Favored 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.046 -172.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -108.42 105.3 14.91 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -113.95 8.16 17.11 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 122.234 1.016 . . . . 0.0 109.784 178.455 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.28 164.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.984 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -96.75 58.47 1.66 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 122.071 0.939 . . . . 0.0 110.592 177.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -142.36 86.88 1.98 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.078 -1.419 . . . . 0.0 107.571 175.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.04 157.79 35.48 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 70.67 101.75 0.06 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.169 0.918 . . . . 0.0 112.26 -176.769 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -87.22 -169.72 2.74 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.678 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -92.09 99.79 12.54 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.346 -176.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 67.41 118.98 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 125.705 1.602 . . . . 0.0 114.496 178.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -125.38 178.49 5.58 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -82.52 114.98 21.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.423 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 p80 . . . . . 0 C--N 1.302 -1.488 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.184 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 CA--C 1.515 -0.385 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -104.69 98.6 8.33 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -77.57 -23.86 49.9 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -173.542 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 -47.35 49.83 Favored Glycine 0 C--O 1.243 0.711 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 22.5 mt-30 -66.74 -37.65 85.07 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.145 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.13 -44.87 92.07 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.71 177.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 1.1 mmmt -60.7 -39.31 88.03 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 176.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -69.45 -33.98 73.73 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.246 0.341 . . . . 0.0 110.513 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 68.0 mttm -59.43 -46.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 173.868 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.47 -47.13 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.717 177.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 28.1 mm-40 -55.8 -50.26 70.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.69 0.619 . . . . 0.0 110.386 177.327 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -57.72 -48.4 79.68 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.434 0.458 . . . . 0.0 111.445 177.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' HB2' ' A' ' 17' ' ' LEU . 13.7 tppt? -65.85 -44.01 86.74 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.463 0.477 . . . . 0.0 110.786 -176.602 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.9 ttpt -55.04 -51.66 65.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 125.089 1.356 . . . . 0.0 108.613 174.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 9.3 mtpm? -63.06 -39.72 95.57 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.837 -179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -57.81 -45.37 86.2 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.268 0.556 . . . . 0.0 110.062 175.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -42.95 90.04 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.145 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 14' ' ' LYS . 81.0 mt -59.01 -41.67 83.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 27.3 mt-30 -62.53 -32.51 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.638 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.454 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.0 mt -72.52 -50.19 27.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.5 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.2 m -63.21 -26.35 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.814 175.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.35 66.47 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.341 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -71.97 -6.97 45.93 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.117 0.484 . . . . 0.0 111.34 -179.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 34.6 t-80 -67.81 -28.71 67.81 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 171.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.92 44.7 0.29 Allowed Glycine 0 N--CA 1.431 -1.655 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.094 178.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.0 mt -86.9 156.41 19.84 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.054 175.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 31' ' ' VAL . 16.5 m-20 -67.81 157.78 33.99 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 169.461 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.616 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.2 t-80 -61.06 -35.74 77.73 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.22 -41.0 96.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.056 176.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.668 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 44.9 mmtm -61.94 -44.1 97.48 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.688 178.424 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 27' ' ' ASP . 26.5 t -60.12 -43.84 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 76.3 mt -62.54 -46.01 90.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.207 179.114 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -36.85 76.38 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -68.54 -49.16 61.66 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.5 p -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' B' ' 40' ' ' LYS . 3.4 ptm180 -67.09 -35.55 80.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.503 -178.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.79 -46.54 62.68 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -178.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.26 -40.93 83.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.763 179.04 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -55.79 -47.66 76.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.35 177.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' B' ' 40' ' ' LYS . 11.3 mptt -69.48 -32.76 71.86 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.9 -42.35 77.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.37 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.93 -50.19 50.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.649 179.61 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.93 -25.91 65.53 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 111.767 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.18 -55.15 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 175.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.76 -27.21 63.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.868 -179.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.06 -12.93 61.96 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.984 176.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t30 67.39 19.99 10.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 122.031 0.919 . . . . 0.0 110.545 173.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.431 ' HB ' ' C ' ' B' ' 62' ' ' HIS . 17.6 m -88.82 115.17 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.632 0 CA-C-O 122.433 1.111 . . . . 0.0 109.195 -179.274 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -97.06 110.12 22.73 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.754 -172.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' CE1' ' B' ' 61' ' ' HIS . 3.9 t70 -46.99 105.02 0.06 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.914 168.524 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -102.83 16.02 27.72 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.446 -172.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.38 172.44 15.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.659 -175.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -116.21 89.65 3.16 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.031 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -130.69 143.14 50.54 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 -172.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.78 172.3 9.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 6.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -59.45 -40.3 86.42 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 168.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -110.28 93.54 4.55 Favored 'General case' 0 N--CA 1.414 -2.258 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -110.05 163.93 13.1 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.786 -175.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.0 m80 68.39 89.9 0.1 Allowed 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.627 1.204 . . . . 0.0 108.64 -174.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' B' ' 50' ' ' ASP . 28.9 p80 -116.84 -172.87 2.28 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.097 -174.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . 0.431 ' C ' ' HB ' ' B' ' 48' ' ' VAL . 43.3 p-80 . . . . . 0 N--CA 1.431 -1.393 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 CA--C 1.513 -0.47 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.17 83.97 0.07 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 124.806 1.242 . . . . 0.0 112.518 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 22.1 mmt -69.48 -14.36 62.84 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.336 -175.536 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.71 -50.94 33.0 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 176.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.09 -38.3 82.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 3.0 tm? -60.49 -46.2 90.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.004 177.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 3' ' ' MET . 0.5 OUTLIER -60.99 -40.16 92.4 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 177.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.17 -35.63 80.98 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.379 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.81 -45.13 87.52 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.159 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 20' ' ' LEU . 48.7 mt -55.32 -47.5 77.83 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.214 174.232 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 38.0 mm-40 -55.19 -52.98 61.58 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 123.65 0.594 . . . . 0.0 110.887 177.537 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.91 -47.64 84.27 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 123.438 0.461 . . . . 0.0 111.999 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -68.49 -38.93 81.43 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -175.287 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 18' ' ' ILE . 36.7 ttpt -59.85 -48.85 80.03 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 124.381 1.072 . . . . 0.0 109.026 174.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 28.9 mtpp -64.04 -42.79 96.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 42.2 mt-10 -56.78 -39.63 74.41 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 0.0 109.751 175.609 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.56 -46.12 67.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.482 179.386 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 14' ' ' LYS . 87.5 mt -55.03 -42.37 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -178.724 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 91.8 mt-30 -62.19 -38.41 89.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.343 178.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 97.3 mt -70.04 -46.93 63.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 26' ' ' LEU . 21.9 t -62.22 -41.43 91.39 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 C-N-CA 120.164 -0.615 . . . . 0.0 109.975 174.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -57.97 -51.73 68.42 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 123.518 0.727 . . . . 0.0 111.848 -179.296 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -64.87 -18.32 65.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.43 -177.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 40.1 t-80 -58.64 -30.91 67.66 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.661 0.601 . . . . 0.0 111.132 176.284 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.05 0.41 0.18 Allowed Glycine 0 C--O 1.227 -0.306 0 C-N-CA 119.079 -1.534 . . . . 0.0 113.973 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 21' ' ' VAL . 9.6 mp -66.03 161.93 20.54 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 121.59 0.71 . . . . 0.0 112.089 177.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.6 m-20 -107.02 175.29 5.55 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.019 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 7.7 p80 -54.31 -47.71 72.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.678 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 p-10 -58.7 -38.78 79.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -68.1 -39.56 82.79 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.619 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 27' ' ' ASP . 44.4 t -64.43 -41.77 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' HIS . 88.7 mt -61.37 -50.93 70.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.621 177.148 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 95.8 mt -60.11 -46.6 89.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.126 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' HD22 ' B' ' 41' ' ' LEU . 79.9 t80 -62.04 -51.85 66.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 p -62.69 -38.67 91.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -72.75 -37.95 67.53 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.586 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.69 -40.38 72.94 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.0 tp -62.9 -42.64 99.86 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.219 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.48 -44.41 97.15 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.184 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.29 -38.25 90.39 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.14 -41.36 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.129 0.49 . . . . 0.0 110.063 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.63 -45.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.217 177.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -59.42 -29.12 67.52 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.051 178.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -67.45 -49.73 62.36 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 123.742 0.817 . . . . 0.0 111.138 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -77.07 -33.23 57.16 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.16 -31.03 63.99 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.577 0.703 . . . . 0.0 109.617 177.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 t30 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.585 -1.188 . . . . 0.0 108.48 -170.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -84.03 120.14 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.464 -2.337 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 178.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -111.55 111.8 23.07 Favored 'General case' 0 N--CA 1.386 -3.665 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.679 -179.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' OD2' HG22 ' A' ' 52' ' ' VAL . 27.4 t70 -61.1 119.61 8.68 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 103.907 -2.627 . . . . 0.0 103.907 167.031 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.365 42.3 pttt -64.29 12.41 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 119.45 3.13 . . . . 0.0 119.45 -164.465 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 ' OD2' ' A' ' 50' ' ' ASP . 33.2 m -107.37 -11.81 10.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 171.363 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -85.4 121.14 27.69 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -75.46 -170.76 1.31 Allowed 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 123.854 0.861 . . . . 0.0 111.953 -174.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -90.7 105.61 17.94 Favored 'General case' 0 N--CA 1.408 -2.569 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.23 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.601 -178.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -52.05 -34.5 43.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -86.2 -8.26 57.94 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.503 0.668 . . . . 0.0 110.116 -175.021 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -81.92 -24.26 35.74 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 172.316 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 m80 70.37 -70.93 0.14 Allowed 'General case' 0 C--N 1.346 0.45 0 C-N-CA 125.316 1.447 . . . . 0.0 109.134 -177.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -146.24 -61.65 0.31 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 176.285 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.711 0.291 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.81 115.82 25.54 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -176.348 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp -83.94 0.6 47.23 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.66 -173.38 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.39 -36.65 84.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.92 -32.4 69.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.264 0.554 . . . . 0.0 110.265 177.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.86 -47.04 76.25 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -34.85 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.407 178.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.65 -40.48 97.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.789 177.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.72 -36.75 76.17 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.166 176.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.79 -51.62 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -56.54 -50.37 72.08 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.652 0.595 . . . . 0.0 110.217 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -55.26 -47.57 75.27 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.181 0.593 . . . . 0.0 112.347 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -68.74 -41.77 78.52 Favored 'General case' 0 C--N 1.313 -1.016 0 O-C-N 123.627 0.579 . . . . 0.0 110.129 -175.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.551 ' O ' HG13 ' B' ' 18' ' ' ILE . 38.1 ttpt -56.25 -50.23 71.91 Favored 'General case' 0 C--O 1.21 -0.974 0 C-N-CA 124.228 1.011 . . . . 0.0 108.734 174.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' B' ' 18' ' ' ILE . 28.9 mtpp -63.81 -36.28 83.38 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.316 0.646 . . . . 0.0 112.005 -179.159 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.43 -45.04 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 109.31 174.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -67.46 -42.67 82.65 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.739 -179.307 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 14' ' ' LYS . 83.4 mt -56.91 -40.17 70.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 -178.269 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.87 -36.38 83.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.0 mp -65.36 -51.81 57.94 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 16.8 t -62.1 -32.26 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.344 0 CA-C-O 121.6 0.714 . . . . 0.0 110.477 175.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.43 -48.91 68.49 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.675 179.164 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -69.5 -8.43 46.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.971 0.508 . . . . 0.0 112.042 -178.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 11.0 t-80 -63.38 -43.85 96.42 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 171.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.6 39.41 0.08 OUTLIER Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 120.388 -0.911 . . . . 0.0 111.834 -178.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 24.7 mt -85.81 148.83 25.64 Favored 'General case' 0 CA--C 1.479 -1.778 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.698 176.771 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 158.56 28.88 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 172.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.554 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 42.7 m-70 -59.8 -33.64 72.0 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.09 -33.91 65.88 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.144 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 63.1 mmtt -62.72 -41.44 99.16 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.77 -0.195 . . . . 0.0 110.73 178.101 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.6 -42.38 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 87.4 mt -64.2 -48.41 76.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.041 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.63 -41.44 88.32 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.993 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.52 ' CZ ' HD12 ' B' ' 38' ' ' LEU . 76.0 t80 -62.16 -50.67 70.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 179.221 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -57.52 -43.25 84.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 123.354 0.409 . . . . 0.0 111.968 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.575 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 14.0 ptm180 -79.53 -19.82 48.64 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.412 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.47 -35.0 23.29 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.533 179.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 6.9 tt -72.38 -32.94 66.85 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.045 -0.979 . . . . 0.0 108.566 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.17 -44.5 95.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.96 177.191 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.3 mttp -53.46 -47.3 69.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.319 177.152 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -59.63 -48.72 80.55 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.152 -175.643 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' B' ' 46' ' ' MET . 68.1 mt -61.07 -56.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.216 -179.194 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -52.93 -40.45 63.63 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 123.74 0.65 . . . . 0.0 110.755 -179.115 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 48' ' ' VAL . 23.7 ttmm -56.68 -49.55 74.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.453 ' HB3' HD21 ' A' ' 26' ' ' LEU . 41.4 m-85 -79.86 -20.67 45.39 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -178.079 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 80.5 mtp -66.24 -48.4 70.64 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.139 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.423 ' H ' ' H ' ' B' ' 48' ' ' VAL . 14.4 t-20 -174.89 -11.7 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' B' ' 44' ' ' LYS . 22.1 t -95.78 70.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 CA-C-O 123.089 1.423 . . . . 0.0 107.899 -175.352 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -116.75 -5.11 11.58 Favored 'General case' 0 C--N 1.266 -3.043 0 CA-C-N 112.984 -1.916 . . . . 0.0 114.307 -166.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -109.83 78.8 1.15 Allowed 'General case' 0 C--N 1.273 -2.72 0 C-N-CA 120.451 -0.5 . . . . 0.0 112.189 -174.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt 45.4 23.31 0.12 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 127.39 2.276 . . . . 0.0 115.611 177.487 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.411 HG23 ' CG1' ' B' ' 48' ' ' VAL . 16.4 m -108.63 129.46 63.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.11 178.302 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -90.69 -42.26 10.83 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -84.83 121.12 27.25 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.883 -179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.565 ' O ' HD12 ' B' ' 55' ' ' LEU . 4.3 pp -83.11 119.7 24.84 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 173.046 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.29 72.7 1.85 Allowed 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 122.368 1.08 . . . . 0.0 109.742 -177.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -145.51 94.83 2.56 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 112.86 -1.973 . . . . 0.0 106.37 178.253 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -111.0 121.96 46.68 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.221 -177.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -83.67 108.19 16.59 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -87.98 125.4 34.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.092 0.472 . . . . 0.0 110.394 176.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -102.2 -33.14 9.76 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.707 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.306 -1.324 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.255 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtm . . . . . 0 CA--C 1.512 -0.496 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.44 111.12 18.76 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.3 mtp -84.27 -16.73 42.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.594 -174.501 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.35 -48.4 58.33 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 178.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.56 -36.07 79.58 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.982 0.513 . . . . 0.0 110.327 175.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.68 -47.62 80.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 4.0 mmmt -63.2 -36.78 84.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.45 177.391 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.965 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -68.71 -34.97 76.54 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 175.289 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.95 -47.19 94.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 176.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 27.5 mm-40 -55.47 -47.71 75.67 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.639 0.587 . . . . 0.0 110.211 175.52 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.01 -46.44 89.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.576 -179.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -69.27 -38.5 78.43 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.89 0.376 . . . . 0.0 110.615 -176.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.8 ttpt -54.46 -52.44 61.84 Favored 'General case' 0 C--O 1.216 -0.691 0 C-N-CA 124.967 1.307 . . . . 0.0 108.532 174.148 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 18' ' ' ILE . 27.5 mtpp -62.87 -39.45 94.47 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.319 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' NE2' ' A' ' 19' ' ' GLN . 8.1 mm-40 -55.22 -47.89 74.69 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 174.671 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -66.34 -43.76 85.17 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.581 179.291 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 14' ' ' LYS . 80.3 mt -55.57 -38.58 50.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.401 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 16' ' ' GLU . 44.4 mt-30 -58.88 -42.65 90.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.309 176.079 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' B' ' 10' ' ' ILE . 2.6 mm? -67.22 -45.6 76.34 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.024 178.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 26' ' ' LEU . 17.7 t -64.05 -39.3 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.087 177.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.55 -46.68 81.79 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 122.814 0.446 . . . . 0.0 111.953 -178.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 14.9 ptm180 -65.85 -18.43 65.33 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.687 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 35.7 t-80 -57.7 -35.03 70.07 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 174.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.56 6.5 0.61 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.485 -1.34 . . . . 0.0 114.768 178.235 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -57.17 149.77 19.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 178.015 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 4.9 m-20 -73.78 174.06 8.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.203 176.015 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -65.37 -42.27 92.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -69.48 -32.77 71.88 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.423 -178.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG2' ' HB2' ' A' ' 27' ' ' ASP . 43.4 mmtm -62.88 -43.3 99.16 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' ASP . 48.9 t -63.67 -37.69 80.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.76 -50.14 63.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.487 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.7 -45.43 92.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.06 -51.13 69.22 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.885 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -62.05 -40.68 96.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 13.9 ptm180 -74.19 -32.61 63.13 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.173 -178.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.82 -44.48 61.42 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 42' ' ' ILE . 22.1 tp -56.63 -45.51 81.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.97 177.111 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -60.48 -41.47 94.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.887 -179.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' ARG . 67.4 mttm -66.94 -42.73 84.79 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.444 178.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.19 -44.12 87.89 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.7 ' O ' ' HG3' ' A' ' 46' ' ' MET . 61.4 mt -62.77 -56.81 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.479 178.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -52.86 -33.73 51.12 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 122.887 0.475 . . . . 0.0 112.258 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -59.4 -49.95 75.85 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.506 0.722 . . . . 0.0 110.33 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' B' ' 26' ' ' LEU . 33.6 m-85 -78.72 -30.02 45.67 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.496 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 41.7 mtp -67.49 -27.58 67.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.143 0.497 . . . . 0.0 110.211 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 65.99 71.86 0.41 Allowed 'General case' 0 C--O 1.245 0.853 0 C-N-CA 124.769 1.228 . . . . 0.0 109.11 -175.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.29 140.62 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.368 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -141.15 74.36 1.46 Allowed 'General case' 0 C--N 1.28 -2.435 0 CA-C-O 122.187 0.994 . . . . 0.0 109.747 -177.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' HG22 ' A' ' 52' ' ' VAL . 7.5 m-20 -107.09 159.87 15.98 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.948 -177.685 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -100.27 -0.62 38.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.398 0.618 . . . . 0.0 110.502 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 50' ' ' ASP . 26.6 m -86.89 110.31 20.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.156 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.295 -179.101 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -80.38 113.32 18.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 175.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -74.29 93.58 2.39 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.51 79.53 8.92 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.971 1.367 . . . . 0.0 109.906 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.69 -40.24 63.78 Favored 'General case' 0 C--N 1.273 -2.753 0 CA-C-N 112.216 -2.266 . . . . 0.0 108.175 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -119.25 104.09 10.09 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.396 176.765 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -161.9 -59.9 0.05 OUTLIER 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.036 -179.172 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -92.28 94.6 9.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.49 -177.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -100.52 -64.56 1.03 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.347 179.402 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -154.14 133.82 12.91 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.167 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.0 m170 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 175.313 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 CA--C 1.496 -1.103 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -76.81 99.04 5.01 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.443 0.639 . . . . 0.0 109.925 179.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptm -72.89 -15.29 61.59 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.543 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.9 91.01 Favored Glycine 0 C--O 1.222 -0.603 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.643 178.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 27.3 mt-30 -77.89 -23.08 48.85 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.282 0.563 . . . . 0.0 110.051 179.27 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.9 -46.87 50.32 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 174.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -60.84 -39.69 90.02 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.258 175.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.32 -41.23 84.1 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 123.566 0.542 . . . . 0.0 110.664 178.123 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 62.1 mttp -69.3 -39.14 78.47 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.518 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.449 HG12 ' HB3' ' A' ' 20' ' ' LEU . 61.3 mt -59.78 -51.29 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -58.0 -52.54 65.08 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.396 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -56.09 -49.99 72.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.12 0.968 . . . . 0.0 112.518 -178.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 1.4 tppp? -69.48 -39.8 77.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.551 -176.424 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.406 ' HD3' HD12 ' B' ' 42' ' ' ILE . 37.0 ttpt -57.57 -50.04 74.41 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 123.825 0.85 . . . . 0.0 108.863 173.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -58.45 -39.52 80.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.688 0.795 . . . . 0.0 112.227 179.024 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -64.22 -39.83 94.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.679 0.276 . . . . 0.0 111.425 175.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' B' ' 17' ' ' LEU . 0.9 OUTLIER -66.05 -44.78 83.58 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 176.702 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' SER . 85.3 mt -57.97 -42.15 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.624 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.97 -24.91 67.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.711 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.5 -51.26 8.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.945 178.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' B' ' 34' ' ' PHE . 11.9 m -62.82 -28.97 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.304 176.018 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' B' ' 26' ' ' LEU . . . -65.08 -42.28 94.27 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.556 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -79.25 -7.19 58.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -67.48 -29.55 69.02 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.52 -11.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.762 -1.208 . . . . 0.0 113.207 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 22' ' ' ALA . 10.9 mp -54.66 140.16 36.41 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.523 ' H ' ' HG3' ' B' ' 30' ' ' LYS . 13.2 m-20 -79.19 165.53 23.18 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 113.567 -1.651 . . . . 0.0 106.651 175.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.469 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 19.3 t-80 -54.37 -43.88 71.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.125 0.488 . . . . 0.0 110.643 178.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.64 -41.03 98.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' H ' ' B' ' 27' ' ' ASP . 32.9 mmtm -56.87 -46.06 82.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.958 176.783 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 27' ' ' ASP . 54.7 t -60.59 -44.14 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.128 -178.1 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.2 mt -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' B' ' 21' ' ' VAL . 86.2 t80 -58.7 -52.14 66.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.463 ' HB3' HD13 ' B' ' 18' ' ' ILE . 23.3 p -59.32 -41.2 88.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.032 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' B' ' 40' ' ' LYS . 12.0 ptm180 -76.77 -33.83 58.04 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.74 -178.218 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.07 -39.93 75.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.253 1.025 . . . . 0.0 108.594 -179.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -65.66 -36.48 83.79 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.717 176.748 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.55 -47.68 82.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 60.8 mtpt -54.95 -42.83 72.81 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.277 177.517 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.99 -42.42 99.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.623 ' O ' ' HG3' ' B' ' 46' ' ' MET . 67.3 mt -66.11 -50.0 72.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -54.02 -33.31 56.89 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.342 1.057 . . . . 0.0 111.767 178.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.28 -51.81 67.35 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -77.04 -26.2 53.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.623 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 54.9 mtp -77.81 -19.66 54.59 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 175.508 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 64.3 t30 64.71 63.29 0.73 Allowed 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 125.855 1.662 . . . . 0.0 110.843 -175.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' B' ' 46' ' ' MET . 49.1 t -105.29 99.75 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.621 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -109.59 -8.65 14.95 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -119.56 108.9 15.05 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.83 -175.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -146.13 21.78 1.39 Allowed 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.609 -1.178 . . . . 0.0 107.916 173.678 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.74 173.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.624 -175.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -55.49 -44.06 76.18 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.307 0.643 . . . . 0.0 112.6 -179.278 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -162.87 137.45 6.45 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.099 -176.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.6 121.21 26.52 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 172.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 82.97 1.71 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.452 0.644 . . . . 0.0 112.613 -175.272 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -117.72 166.19 12.73 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.908 177.23 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 72.73 30.82 1.74 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 123.061 1.41 . . . . 0.0 108.501 -175.046 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -88.89 -15.86 33.35 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.586 178.127 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -90.08 135.86 33.4 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.939 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -117.1 114.23 23.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 176.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 . . . . . 0 C--N 1.286 -2.182 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.928 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 120.809 0.338 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.557 ' OE1' ' HG3' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -98.31 119.19 36.55 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -177.086 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptp -66.01 -30.77 71.37 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -173.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.72 -42.53 79.38 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.76 -177.663 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.557 ' HG3' ' OE1' ' A' ' 2' ' ' GLU . 46.1 mt-30 -69.22 -29.28 67.2 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 122.897 -0.178 . . . . 0.0 111.207 177.409 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.65 -47.21 84.71 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.733 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.96 -40.14 94.55 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.161 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -60.37 -40.48 90.94 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.182 0.593 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.98 -39.54 83.29 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.663 176.594 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.658 HG12 ' HB3' ' B' ' 20' ' ' LEU . 82.7 mt -56.65 -45.33 82.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 172.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 8.0 mm-40 -57.44 -52.35 65.75 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 123.721 0.638 . . . . 0.0 109.676 176.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -58.11 -45.72 86.77 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.174 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' B' ' 17' ' ' LEU . 14.8 tppt? -67.88 -43.36 79.55 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.655 0.782 . . . . 0.0 110.961 -176.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 18' ' ' ILE . 35.1 ttpt -55.1 -49.96 70.38 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 125.102 1.361 . . . . 0.0 108.811 175.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -64.47 -40.17 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 20' ' ' LEU . 47.3 mt-10 -55.64 -44.91 77.58 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 109.577 175.112 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -67.77 -42.88 81.03 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.867 -178.143 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 14' ' ' LYS . 68.6 mt -57.84 -39.33 70.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.137 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 88.7 mt-30 -62.09 -41.29 98.04 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.079 177.177 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.2 mm? -62.64 -49.95 73.13 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.725 176.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.565 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.7 m -66.72 -32.15 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 118.943 -1.103 . . . . 0.0 111.808 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.93 82.84 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.082 -0.386 . . . . 0.0 111.82 -178.088 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -75.79 -18.74 59.4 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.264 178.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 39.9 t-80 -56.73 -46.7 81.17 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.02 0.438 . . . . 0.0 110.2 176.255 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.54 6.56 0.08 OUTLIER Glycine 0 N--CA 1.434 -1.484 0 C-N-CA 119.199 -1.477 . . . . 0.0 113.512 -178.075 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.1 mp -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.58 0.705 . . . . 0.0 112.453 173.744 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.7 m-20 -73.68 171.14 13.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.713 178.432 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -60.14 -47.06 87.5 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.337 0.589 . . . . 0.0 110.194 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 6.6 p-10 -64.2 -34.44 78.09 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.1 -44.05 93.49 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.506 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 27' ' ' ASP . 46.6 t -61.16 -40.38 85.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.64 -54.36 28.74 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.298 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.5 mt -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.172 -177.253 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.86 -50.42 70.98 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 123.572 0.545 . . . . 0.0 110.495 178.398 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -59.66 -37.24 78.2 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.685 0.279 . . . . 0.0 111.517 -178.714 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -66.99 -50.35 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.288 0.635 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.06 -41.84 77.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.968 -176.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.45 -48.77 79.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.8 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.52 -43.43 98.88 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.077 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.99 -39.98 96.38 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 124.252 1.021 . . . . 0.0 110.964 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.81 -40.67 95.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' A' ' 46' ' ' MET . 66.6 mt -65.58 -54.0 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.721 179.162 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -55.05 -34.9 63.94 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.817 0.847 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.43 -49.73 76.66 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.381 0.61 . . . . 0.0 109.908 177.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -77.65 -33.21 53.53 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.45 -178.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 27.3 mtp -74.13 -24.55 59.44 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.282 0.563 . . . . 0.0 110.007 -179.63 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.1 t30 69.88 14.42 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.667 1.187 . . . . 0.0 110.196 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 46' ' ' MET . 32.5 m -82.44 115.24 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 122.377 1.084 . . . . 0.0 110.319 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -133.93 14.06 3.96 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.855 -176.612 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' OD2' HG22 ' A' ' 52' ' ' VAL . 8.0 p-10 -123.66 154.86 38.78 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.341 -176.685 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -129.44 43.58 3.11 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.756 0.788 . . . . 0.0 109.973 -177.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG22 ' OD2' ' A' ' 50' ' ' ASP . 32.7 m -80.2 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.946 -177.141 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -65.94 -43.57 87.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.169 0.985 . . . . 0.0 108.589 175.581 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -133.14 113.24 12.5 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 173.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -83.12 91.98 7.33 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.782 -174.273 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -42.81 33.01 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 172.367 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 60' ' ' HIS . 90.3 m-70 -95.06 105.11 17.0 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 173.589 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -94.54 -40.75 9.7 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -172.09 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -79.09 -63.01 1.52 Allowed 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' ' 57' ' ' HIS . 44.5 m170 -141.39 161.39 38.0 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.396 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.49 144.09 36.04 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.721 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 . . . . . 0 C--N 1.295 -1.799 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.942 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 120.437 0.16 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.455 ' OE2' ' HG3' ' B' ' 5' ' ' GLN . 1.1 tm-20 -75.88 110.77 10.6 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.018 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.6 mtm -117.07 23.86 11.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 -179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 -39.13 41.85 Favored Glycine 0 N--CA 1.44 -1.036 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -177.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.455 ' HG3' ' OE2' ' B' ' 2' ' ' GLU . 27.6 mt-30 -74.47 -33.81 62.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.317 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.18 -46.81 87.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.034 179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.461 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 2.9 mmmt -64.19 -34.21 77.55 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.044 176.318 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -66.03 -32.31 73.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.066 0.46 . . . . 0.0 109.904 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.79 -42.55 73.62 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.263 173.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' A' ' 20' ' ' LEU . 77.9 mt -59.81 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.409 177.214 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 22.6 mm-40 -56.81 -46.07 81.83 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.825 176.784 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.01 -45.04 94.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.8 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -67.54 -42.9 81.96 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 123.236 0.335 . . . . 0.0 110.491 -177.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.525 ' O ' HG13 ' B' ' 18' ' ' ILE . 37.8 ttpt -54.43 -51.12 65.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.639 1.176 . . . . 0.0 108.611 175.155 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.38 -36.63 82.9 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.5 -43.91 97.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.235 0.541 . . . . 0.0 109.838 175.571 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -67.06 -44.39 80.24 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.942 -178.837 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 14' ' ' LYS . 65.4 mt -58.07 -40.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.526 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.46 -37.41 85.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.209 177.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 10' ' ' ILE . 8.3 mp -65.7 -54.4 27.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 177.336 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 10.1 m -61.66 -28.95 45.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 119.496 -0.881 . . . . 0.0 111.612 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.77 70.92 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -73.1 -8.99 58.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.563 -178.334 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.7 t-80 -61.06 -38.7 87.12 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 37.71 0.1 OUTLIER Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.863 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 27.1 mt -84.67 147.84 26.72 Favored 'General case' 0 CA--C 1.478 -1.799 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.901 177.328 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.435 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.0 m-20 -74.93 160.5 30.52 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 173.102 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.6 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 49.7 t-80 -51.72 -42.93 62.63 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.583 0.552 . . . . 0.0 110.58 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 6.8 m-20 -65.57 -38.32 89.2 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.545 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 72.5 mmtt -62.11 -45.48 93.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.236 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 27' ' ' ASP . 28.4 t -60.26 -41.43 86.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.637 178.903 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 28' ' ' HIS . 79.9 mt -64.92 -55.69 17.78 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.03 179.458 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 29' ' ' ASP . 85.6 mt -60.71 -36.5 78.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.478 -177.277 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.16 -51.7 50.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 177.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.403 ' HB3' HD13 ' B' ' 18' ' ' ILE . 21.6 p -62.3 -35.79 80.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.416 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 98.4 mtt180 -64.96 -52.85 54.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.22 177.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.57 -44.68 96.59 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.094 -177.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.4 -45.31 91.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.246 178.005 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.38 -45.37 93.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.187 0.518 . . . . 0.0 109.855 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 29.0 mtpp -63.19 -48.85 76.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.641 178.562 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.2 tp -57.46 -44.9 85.17 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.665 0.786 . . . . 0.0 110.974 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.728 ' O ' ' HG3' ' B' ' 46' ' ' MET . 56.7 mt -62.49 -59.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.593 179.383 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.39 -34.32 66.6 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.509 0.506 . . . . 0.0 111.901 -177.635 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -57.15 -51.87 67.58 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.444 0.698 . . . . 0.0 110.157 177.362 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 25.1 m-85 -70.98 -33.36 70.35 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.688 -179.266 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.728 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 58.6 mtp -64.73 -30.88 71.91 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.495 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 75.19 21.75 1.85 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.227 1.411 . . . . 0.0 110.265 177.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 20.2 m -114.76 130.35 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -90.95 81.93 5.65 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 121.737 0.78 . . . . 0.0 113.012 -172.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.606 ' CG ' ' H ' ' B' ' 51' ' ' LYS . 34.7 t70 58.51 -168.52 0.13 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 113.02 -1.9 . . . . 0.0 113.327 175.056 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.606 ' H ' ' CG ' ' B' ' 50' ' ' ASP . 9.1 ptpp? -89.29 11.26 19.47 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 124.897 1.279 . . . . 0.0 111.231 -174.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.5 m -83.98 84.21 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-O 122.399 1.095 . . . . 0.0 110.645 178.573 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -141.02 -179.37 6.05 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.309 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -64.66 161.53 17.55 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 123.467 0.479 . . . . 0.0 109.768 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.03 136.44 46.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.69 125.28 23.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -177.606 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -71.74 109.28 5.53 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.323 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -106.85 -2.95 20.85 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.881 -178.368 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -108.33 109.97 21.42 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.917 0.389 . . . . 0.0 111.873 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -131.46 -54.79 1.02 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 176.671 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 177.95 -49.74 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 177.312 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m80 . . . . . 0 C--N 1.311 -1.091 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.879 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -110.27 122.83 48.59 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm -64.41 -28.79 69.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.576 0.75 . . . . 0.0 112.856 -175.463 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.1 -45.86 69.17 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 177.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 19.4 mm-40 -63.07 -31.91 73.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.548 0.339 . . . . 0.0 110.961 174.58 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.72 -49.84 69.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.711 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -62.62 -34.47 77.1 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.853 0.358 . . . . 0.0 110.597 177.448 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -66.15 -41.22 90.68 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 123.454 0.702 . . . . 0.0 109.343 179.576 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.9 mmtm -65.97 -34.76 78.84 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 175.872 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.99 -46.84 92.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.873 175.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 38.7 mm-40 -57.66 -47.27 82.75 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.475 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.72 -53.49 51.37 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 124.787 1.235 . . . . 0.0 111.497 179.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -68.77 -40.02 79.93 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 -175.134 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 18' ' ' ILE . 37.1 ttpt -57.81 -49.8 75.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.175 0.99 . . . . 0.0 109.192 175.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -65.57 -36.07 82.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.577 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.1 mt-10 -59.29 -44.21 92.5 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 174.054 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.77 -42.45 77.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.714 -178.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -58.57 -43.45 87.21 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.016 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.54 -32.68 73.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.908 177.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 95.0 mt -69.44 -52.02 30.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.281 177.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 26' ' ' LEU . 12.1 m -62.99 -32.38 55.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.492 175.62 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . . . -62.95 -46.16 89.04 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 123.062 0.545 . . . . 0.0 111.72 -179.293 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 17.1 ptp180 -68.92 -18.3 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.868 -179.305 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.529 ' HB3' ' O ' ' A' ' 21' ' ' VAL . 37.5 t-80 -59.28 -32.94 70.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.007 0.523 . . . . 0.0 110.807 175.512 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.69 -13.98 0.51 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.504 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 21' ' ' VAL . 11.0 mp -52.72 141.01 22.12 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 m-20 -80.39 171.04 15.57 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 177.146 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 23.4 t-80 -64.98 -36.08 83.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.156 0.434 . . . . 0.0 110.542 -178.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 5.9 p-10 -62.61 -37.63 87.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.769 178.711 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -65.38 -41.03 94.17 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.938 179.211 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 27' ' ' ASP . 62.1 t -65.2 -39.55 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.691 -179.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 84.4 mt -62.95 -47.62 82.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.392 176.462 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 72.8 mt -64.35 -43.7 93.75 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 123.483 0.489 . . . . 0.0 111.265 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -65.86 -49.16 69.14 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.139 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 p -60.29 -41.13 92.72 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.401 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 14.1 ptm180 -70.13 -40.64 74.71 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.752 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -74.35 -38.23 63.28 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.125 -179.019 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.05 -45.82 93.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.792 176.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.5 -49.27 76.85 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.593 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.6 -33.4 75.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.814 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.39 -40.59 93.66 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 46' ' ' MET . 62.3 mt -66.48 -53.13 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.853 177.788 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.57 -38.66 60.4 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 123.367 0.667 . . . . 0.0 110.634 178.123 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -58.03 -40.68 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.818 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -85.18 -35.63 21.55 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.65 ' HG3' ' O ' ' A' ' 42' ' ' ILE . 54.5 mtp -66.29 -28.8 68.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -178.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 81.66 -12.01 1.01 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.764 2.026 . . . . 0.0 110.558 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -94.78 104.55 15.93 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-O 122.767 1.27 . . . . 0.0 108.891 175.017 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -113.05 30.62 7.04 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.53 -175.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t70 70.92 125.65 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 126.425 1.89 . . . . 0.0 110.743 -175.842 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -123.92 14.99 9.28 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.199 -179.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.8 m -106.24 -38.12 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.704 -175.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -134.44 77.01 1.67 Allowed 'General case' 0 CA--C 1.491 -1.308 0 CA-C-O 121.703 0.763 . . . . 0.0 110.761 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -96.78 111.47 23.63 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 130.89 40.54 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 172.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.0 -40.82 67.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.021 0.826 . . . . 0.0 112.081 -174.536 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -96.9 -66.88 0.88 Allowed 'General case' 0 N--CA 1.426 -1.65 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.854 176.04 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.8 t60 58.78 67.77 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -175.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -106.03 111.49 24.14 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.934 -177.188 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -136.1 125.2 24.43 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.041 -178.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -95.06 -12.95 25.65 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 174.803 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 . . . . . 0 N--CA 1.427 -1.592 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 177.89 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 CA--C 1.497 -1.088 0 CA-C-O 121.287 0.565 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -142.69 -160.63 1.12 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt 72.27 0.77 3.7 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.66 -40.16 85.89 Favored Glycine 0 N--CA 1.434 -1.476 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' B' ' 8' ' ' ASN . 24.3 pt20 -76.37 -20.23 57.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.411 0.624 . . . . 0.0 110.73 177.198 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -74.49 -47.49 32.86 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' SD ' ' B' ' 46' ' ' MET . 6.5 mmmt -61.46 -35.49 77.77 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.806 174.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' B' ' 5' ' ' GLN . 16.1 t-20 -55.04 -50.18 69.73 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.01 176.415 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -68.93 -35.5 76.88 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.424 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 55.3 mt -59.36 -51.46 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 123.558 0.536 . . . . 0.0 110.723 176.496 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 7' ' ' LYS . 68.1 mm-40 -57.88 -47.84 81.6 Favored 'General case' 0 CA--C 1.509 -0.602 0 O-C-N 123.653 0.595 . . . . 0.0 110.905 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.37 -43.46 90.71 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -64.45 -43.44 94.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.259 0.552 . . . . 0.0 109.763 -178.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.526 ' O ' HG13 ' B' ' 18' ' ' ILE . 34.1 ttpt -54.12 -52.01 62.4 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.119 1.368 . . . . 0.0 108.906 174.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 8.6 mtpm? -60.76 -44.5 96.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.562 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 39.8 mt-10 -56.19 -40.03 73.33 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.922 0.392 . . . . 0.0 110.463 176.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.412 HD13 ' C ' ' B' ' 17' ' ' LEU . 1.0 OUTLIER -69.36 -44.11 72.25 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.421 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 14' ' ' LYS . 74.6 mt -58.24 -41.73 81.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.743 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' B' ' 15' ' ' LYS . 23.9 mt-30 -60.33 -37.48 80.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.17 177.468 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 91.0 mt -68.13 -51.52 45.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.548 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 3.3 m -63.53 -28.89 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.994 176.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.17 -38.05 72.17 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -81.32 0.25 37.92 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.731 178.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' B' ' 21' ' ' VAL . 25.0 t-80 -69.27 -34.0 74.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 167.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.59 46.59 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.602 177.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.609 ' HB3' ' HB2' ' B' ' 30' ' ' LYS . 40.9 mt -89.63 144.51 25.94 Favored 'General case' 0 CA--C 1.473 -2.006 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.057 178.093 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.428 ' O ' HG23 ' B' ' 31' ' ' VAL . 30.1 m-20 -77.58 164.11 25.65 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.562 173.277 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.593 ' O ' ' HG ' ' B' ' 32' ' ' LEU . 40.6 p-80 -50.65 -44.38 57.46 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 123.772 0.67 . . . . 0.0 112.127 -177.239 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.36 -47.08 79.62 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.741 178.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.609 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 34.2 mmtp -62.32 -42.71 99.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.436 -176.636 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 27' ' ' ASP . 12.1 t -64.42 -43.99 97.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.662 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.753 ' O ' ' HG2' ' B' ' 36' ' ' ARG . 88.7 mt -60.12 -58.29 9.18 Favored 'General case' 0 CA--C 1.492 -1.256 0 C-N-CA 123.581 0.752 . . . . 0.0 111.313 178.217 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.0 -34.19 75.73 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 123.605 0.566 . . . . 0.0 112.029 -176.512 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 42' ' ' ILE . 89.1 t80 -72.69 -49.66 29.95 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.806 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 31.9 p -58.79 -40.54 84.35 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -176.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.753 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 9.6 ptm180 -68.41 -48.44 64.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 177.148 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.84 -28.13 58.13 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.131 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.4 ' O ' HG13 ' B' ' 42' ' ' ILE . 20.9 tp -64.12 -43.86 93.99 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 172.562 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.8 -43.81 97.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.616 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 36' ' ' ARG . 66.8 mttm -63.39 -43.14 98.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.352 178.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -40.16 96.4 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.706 179.006 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' B' ' 46' ' ' MET . 59.1 mt -64.02 -54.53 30.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.954 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -57.42 -34.29 68.77 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -54.19 -45.86 72.27 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.745 0.818 . . . . 0.0 110.095 176.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.493 ' HB3' HD21 ' A' ' 26' ' ' LEU . 33.5 m-85 -84.5 -23.11 29.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.809 -178.552 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 42' ' ' ILE . 34.4 mtp -78.52 -1.33 33.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.177 0.513 . . . . 0.0 109.871 178.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 t30 73.4 19.52 3.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.463 1.505 . . . . 0.0 109.825 179.056 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.96 97.53 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.138 0 CA-C-O 122.428 1.109 . . . . 0.0 109.149 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -132.26 28.76 4.37 Favored 'General case' 0 C--N 1.273 -2.76 0 CA-C-N 113.595 -1.639 . . . . 0.0 107.894 -178.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.43 35.45 0.5 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.776 -175.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -87.54 26.52 1.25 Allowed 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 124.716 1.207 . . . . 0.0 109.308 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -86.98 171.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.678 -176.704 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -109.81 178.17 4.5 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 176.461 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -77.3 101.47 6.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 174.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.84 165.91 11.71 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.972 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -81.36 11.15 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 38.9 m80 64.79 -90.46 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.593 1.157 . . . . 0.0 111.925 178.103 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -91.82 91.06 7.76 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.331 0.586 . . . . 0.0 109.726 175.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -67.71 -50.94 54.88 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.392 -176.824 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -155.26 -54.02 0.09 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.235 177.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 74.2 t60 65.98 -64.3 0.21 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.788 1.235 . . . . 0.0 109.749 -175.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 176.054 . . . . . . . . 0 0 . 1 stop_ save_